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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S/c19-15-6-8-16(9-7-15)26(24,25)22(13-14-4-3-10-20-12-14)17-5-1-2-11-21-18(17)23/h3-4,6-10,12,17H,1-2,5,11,13H2,(H,21,23)/t17-/m1/s1