N-(2-cyanoethyl)-4-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-4-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-[[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN4O4S/c22-18-4-1-3-17(15-18)21(28)26-13-11-25(12-14-26)20(27)16-5-7-19(8-6-16)31(29,30)24-10-2-9-23/h1,3-8,15,24H,2,10-14H2