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

Systemtic Name: 4-chloranyl-N-[(2-methoxyphenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[(2-methoxyphenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: 4-chloro-N-[(2-methoxyphenyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(2-methoxyphenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[(3R)-2-ketoazepan-3-yl]-N-o-anisyl-benzenesulfonamide Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1CN([C@@H]2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-27-19-8-3-2-6-15(19)14-23(18-7-4-5-13-22-20(18)24)28(25,26)17-11-9-16(21)10-12-17/h2-3,6,8-12,18H,4-5,7,13-14H2,1H3,(H,22,24)/t18-/m1/s1