N-[2-[1-[2-(azepan-1-yl)ethyl]indol-3-yl]ethyl]-3-methyl-benzenesulfonamide

Systemtic Name: N-[2-[1-[2-(azepan-1-yl)ethyl]indol-3-yl]ethyl]-3-methyl-benzenesulfonamide Openeye Name: N-[2-[1-[2-(azepan-1-yl)ethyl]indol-3-yl]ethyl]-3-methyl-benzenesulfonamide CAS Name: N-[2-[1-[2-(1-azepanyl)ethyl]-3-indolyl]ethyl]-3-methylbenzenesulfonamide IUPAC Name: N-[2-[1-[2-(azepan-1-yl)ethyl]indol-3-yl]ethyl]-3-methylbenzenesulfonamide Traditional Name: N-[2-[1-[2-(azepan-1-yl)ethyl]indol-3-yl]ethyl]-3-methyl-benzenesulfonamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NCCC2=CN(C3=CC=CC=C32)CCN4CCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NCCC2=CN(C3=CC=CC=C32)CCN4CCCCCC4

InChI

InChI=1S/C25H33N3O2S/c1-21-9-8-10-23(19-21)31(29,30)26-14-13-22-20-28(25-12-5-4-11-24(22)25)18-17-27-15-6-2-3-7-16-27/h4-5,8-12,19-20,26H,2-3,6-7,13-18H2,1H3