4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide Openeye Name: 4-chloro-N-[(E)-cinnamyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-(2-oxo-3-azepanyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide Traditional Name: 4-chloro-N-[(E)-cinnamyl]-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC=CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3S/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/h1-3,6-9,11-14,20H,4-5,10,15-16H2,(H,23,25)/b9-6+