N-(2-ethyl-6-methyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(2-ethyl-6-methyl-phenyl)benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(2-ethyl-6-methylphenyl)benzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-(2-ethyl-6-methyl-phenyl)benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O3S/c1-3-23-12-7-9-21(2)26(23)28-27(31)24-13-8-14-25(19-24)34(32,33)30-17-15-29(16-18-30)20-22-10-5-4-6-11-22/h4-14,19H,3,15-18,20H2,1-2H3,(H,28,31)