N-(2-cyanoethyl)-4-[[(1-methylindol-3-yl)carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-4-[[(1-methylindol-3-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-[[(1-methylindole-3-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-[[[(1-methyl-3-indolyl)-oxomethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-[[(1-methylindole-3-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-[[(1-methylindole-3-carbonyl)amino]carbamoyl]benzenesulfonamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C20H19N5O4S/c1-25-13-17(16-5-2-3-6-18(16)25)20(27)24-23-19(26)14-7-9-15(10-8-14)30(28,29)22-12-4-11-21/h2-3,5-10,13,22H,4,12H2,1H3,(H,23,26)(H,24,27)