N-[4-(azepan-1-yl)phenyl]-3-(phenylsulfonylamino)propanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-(phenylsulfonylamino)propanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-(benzenesulfonamido)propanamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-(benzenesulfonamido)propanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-(benzenesulfonamido)propanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-(benzenesulfonamido)propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c25-21(14-15-22-28(26,27)20-8-4-3-5-9-20)23-18-10-12-19(13-11-18)24-16-6-1-2-7-17-24/h3-5,8-13,22H,1-2,6-7,14-17H2,(H,23,25)