2-cyano-N-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]ethanamide

Systemtic Name: 2-cyano-N-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]ethanamide Openeye Name: 2-cyano-N-[4-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]phenyl]acetamide CAS Name: 2-cyano-N-[4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]acetamide IUPAC Name: 2-cyano-N-[4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide Traditional Name: 2-cyano-N-[4-(4-tosylpiperazine-1-carbonyl)phenyl]acetamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-16-2-8-19(9-3-16)30(28,29)25-14-12-24(13-15-25)21(27)17-4-6-18(7-5-17)23-20(26)10-11-22/h2-9H,10,12-15H2,1H3,(H,23,26)