4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-oxidanylideneazepan-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide Openeye Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-(thiazol-2-ylmethyl)benzenesulfonamide CAS Name: 4-chloro-N-(2-oxo-3-azepanyl)-N-(2-thiazolylmethyl)benzenesulfonamide IUPAC Name: 4-chloro-N-(2-oxoazepan-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide Traditional Name: 4-chloro-N-(2-ketoazepan-3-yl)-N-(thiazol-2-ylmethyl)benzenesulfonamide Formula: C16H18ClN3O3S2 MolecularWeight: 399.91542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=NC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CC2=NC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN3O3S2/c17-12-4-6-13(7-5-12)25(22,23)20(11-15-18-9-10-24-15)14-3-1-2-8-19-16(14)21/h4-7,9-10,14H,1-3,8,11H2,(H,19,21)