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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-1-indolyl]-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[4-(methylthio)benzyl]acetamide Formula: C24H29N3O3S2 MolecularWeight: 471.63536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S2/c1-31-21-8-6-19(7-9-21)17-25-24(28)18-26-15-12-20-16-22(10-11-23(20)26)32(29,30)27-13-4-2-3-5-14-27/h6-12,15-16H,2-5,13-14,17-18H2,1H3,(H,25,28)