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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S/c19-15-4-6-16(7-5-15)26(24,25)22(13-14-8-11-20-12-9-14)17-3-1-2-10-21-18(17)23/h4-9,11-12,17H,1-3,10,13H2,(H,21,23)/t17-/m1/s1