2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]ethanamide

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]ethanamide Openeye Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]acetamide CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(1-methyl-2-imidazolyl)-phenylmethyl]acetamide IUPAC Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide Traditional Name: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]acetamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C3=CC=CC=C3)C4=NC=CN4C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C3=CC=CC=C3)C4=NC=CN4C)C

InChI

InChI=1S/C25H31N5O3S/c1-19-9-10-22(20(2)17-19)34(32,33)30-15-13-29(14-16-30)18-23(31)27-24(21-7-5-4-6-8-21)25-26-11-12-28(25)3/h4-12,17,24H,13-16,18H2,1-3H3,(H,27,31)