4-chloranyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-N-(3-phenylpropyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-N-(3-phenylpropyl)benzenesulfonamide Openeye Name: 4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(3-phenylpropyl)benzenesulfonamide CAS Name: 4-chloro-N-[(3R)-2-oxo-3-azepanyl]-N-(3-phenylpropyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(3-phenylpropyl)benzenesulfonamide Traditional Name: 4-chloro-N-[(3R)-2-ketoazepan-3-yl]-N-(3-phenylpropyl)benzenesulfonamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S/c22-18-11-13-19(14-12-18)28(26,27)24(20-10-4-5-15-23-21(20)25)16-6-9-17-7-2-1-3-8-17/h1-3,7-8,11-14,20H,4-6,9-10,15-16H2,(H,23,25)/t20-/m1/s1