4-chloranyl-N-[1-(4-methoxyphenyl)ethyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[1-(4-methoxyphenyl)ethyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-N-[(3R)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[1-(4-methoxyphenyl)ethyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[(3R)-2-ketoazepan-3-yl]-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)N([C@@H]2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-15(16-6-10-18(28-2)11-7-16)24(20-5-3-4-14-23-21(20)25)29(26,27)19-12-8-17(22)9-13-19/h6-13,15,20H,3-5,14H2,1-2H3,(H,23,25)/t15?,20-/m1/s1