2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-1-indolyl]-N-[2-[4-(methylthio)phenyl]ethyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[2-[4-(methylthio)phenyl]ethyl]acetamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)CN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)CN2C=CC3=C2C=CC(=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O3S2/c1-32-22-8-6-20(7-9-22)12-14-26-25(29)19-27-17-13-21-18-23(10-11-24(21)27)33(30,31)28-15-4-2-3-5-16-28/h6-11,13,17-18H,2-5,12,14-16,19H2,1H3,(H,26,29)