4-chloranyl-N-(2-cyanoethyl)-3-[(phenylmethyl)sulfonylamino]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-cyanoethyl)-3-[(phenylmethyl)sulfonylamino]benzenesulfonamide Openeye Name: 3-(benzylsulfonylamino)-4-chloro-N-(2-cyanoethyl)benzenesulfonamide CAS Name: 4-chloro-N-(2-cyanoethyl)-3-[(phenylmethyl)sulfonylamino]benzenesulfonamide IUPAC Name: 3-(benzylsulfonylamino)-4-chloro-N-(2-cyanoethyl)benzenesulfonamide Traditional Name: 3-(benzylsulfonylamino)-4-chloro-N-(2-cyanoethyl)benzenesulfonamide Formula: C16H16ClN3O4S2 MolecularWeight: 413.89894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)NCCC#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)NCCC#N)Cl

InChI

InChI=1S/C16H16ClN3O4S2/c17-15-8-7-14(26(23,24)19-10-4-9-18)11-16(15)20-25(21,22)12-13-5-2-1-3-6-13/h1-3,5-8,11,19-20H,4,10,12H2