N-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]methyl]ethanamide

Systemtic Name: N-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylphenyl]methyl]ethanamide Openeye Name: N-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]acetamide CAS Name: N-[[4-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]acetamide Traditional Name: N-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzyl]acetamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)C

InChI

InChI=1S/C22H27N3O4S/c1-16-4-5-17(2)21(14-16)30(28,29)25-12-10-24(11-13-25)22(27)20-8-6-19(7-9-20)15-23-18(3)26/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)