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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-(phenylsulfonyl)propanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-(benzenesulfonyl)propanamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-(benzenesulfonyl)propanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-(benzenesulfonyl)propanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-besyl-propionamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c24-21(14-17-27(25,26)20-8-4-3-5-9-20)22-18-10-12-19(13-11-18)23-15-6-1-2-7-16-23/h3-5,8-13H,1-2,6-7,14-17H2,(H,22,24)