4-chloranyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: 4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: 4-chloro-N-[(3R)-2-oxo-3-azepanyl]-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 4-chloro-N-[(3R)-2-ketoazepan-3-yl]-N-(2-pyridylmethyl)benzenesulfonamide Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O3S/c19-14-7-9-16(10-8-14)26(24,25)22(13-15-5-1-3-11-20-15)17-6-2-4-12-21-18(17)23/h1,3,5,7-11,17H,2,4,6,12-13H2,(H,21,23)/t17-/m1/s1