2-cyano-N-[[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylphenyl]methyl]benzenesulfonamide

Systemtic Name: 2-cyano-N-[[4-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylphenyl]methyl]benzenesulfonamide Openeye Name: 2-cyano-N-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide CAS Name: 2-cyano-N-[[4-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 2-cyano-N-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide Traditional Name: 2-cyano-N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzyl]benzenesulfonamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H26N4O4S/c1-34-24-7-4-6-23(17-24)29-13-15-30(16-14-29)26(31)21-11-9-20(10-12-21)19-28-35(32,33)25-8-3-2-5-22(25)18-27/h2-12,17,28H,13-16,19H2,1H3