4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-[1-(1H-pyrrol-2-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-[1-(1H-pyrrol-2-yl)ethyl]benzenesulfonamide Openeye Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[1-(1H-pyrrol-2-yl)ethyl]benzenesulfonamide CAS Name: 4-chloro-N-(2-oxo-3-azepanyl)-N-[1-(1H-pyrrol-2-yl)ethyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-[1-(1H-pyrrol-2-yl)ethyl]benzenesulfonamide Traditional Name: 4-chloro-N-(2-ketoazepan-3-yl)-N-[1-(1H-pyrrol-2-yl)ethyl]benzenesulfonamide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CN1)N(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C1=CC=CN1)N(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3O3S/c1-13(16-5-4-12-20-16)22(17-6-2-3-11-21-18(17)23)26(24,25)15-9-7-14(19)8-10-15/h4-5,7-10,12-13,17,20H,2-3,6,11H2,1H3,(H,21,23)