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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN([C@@H]2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-27-17-6-4-5-15(13-17)14-23(19-7-2-3-12-22-20(19)24)28(25,26)18-10-8-16(21)9-11-18/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3,(H,22,24)/t19-/m1/s1