N-(2-cyanoethyl)-4-[[(2-methylphenyl)carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-4-[[(2-methylphenyl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-[[[(2-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-[(o-toluoylamino)carbamoyl]benzenesulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C18H18N4O4S/c1-13-5-2-3-6-16(13)18(24)22-21-17(23)14-7-9-15(10-8-14)27(25,26)20-12-4-11-19/h2-3,5-10,20H,4,12H2,1H3,(H,21,23)(H,22,24)