etisulergine (Q27254335)

Etisulergine (English)

14 October 2016

chemical formula

C₁₉H₂₈N₄O₂S

1 reference

Etisulergine (English)

14 October 2016

canonical SMILES

CCN(CC)S(=O)(=O)NC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C

1 reference

Etisulergine (English)

14 October 2016

isomeric SMILES

CCN(CC)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C

1 reference

Etisulergine (English)

InChI=1S/C19H28N4O2S/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3/t14-,16+,18+/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Etisulergine (English)

YHEIHLVIKSTGJE-YXJHDRRASA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Etisulergine (English)

14 October 2016

1 reference

UNII

28N73Q6O7Y

etisulergine (English)

14 October 2016

1 reference

etisulergine (English)

14 October 2016

1 reference

Etisulergine (English)

14 October 2016

1 reference

matched by identifier from

ETISULERGINE (English)

14 October 2016

2 references

inferred from InChIKey

InChIKey

YHEIHLVIKSTGJE-YXJHDRRASA-N

1 reference

2 references

Global Substance Registration System

UNII

28N73Q6O7Y

etisulergine (English)