N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(4-tosylpiperazino)acetamide Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O3S/c1-18-3-9-21(10-4-18)31(29,30)26-15-13-25(14-16-26)17-22(28)27(12-2-11-24)20-7-5-19(23)6-8-20/h3-10H,2,12-17H2,1H3