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

Systemtic Name: 4-chloranyl-N-[(4-hydroxyphenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: 4-chloro-N-(4-hydroxybenzyl)-N-[(3R)-2-ketoazepan-3-yl]benzenesulfonamide Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CC2=CC=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O4S/c20-15-6-10-17(11-7-15)27(25,26)22(13-14-4-8-16(23)9-5-14)18-3-1-2-12-21-19(18)24/h4-11,18,23H,1-3,12-13H2,(H,21,24)/t18-/m1/s1