3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(3-propan-2-yloxyphenyl)benzamide

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(3-propan-2-yloxyphenyl)benzamide Openeye Name: N-(3-isopropoxyphenyl)-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-(3-propan-2-yloxyphenyl)benzamide IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(3-propan-2-yloxyphenyl)benzamide Traditional Name: N-(3-isopropoxyphenyl)-3-[(4-tosylpiperazino)methyl]benzamide Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)OC(C)C

InChI

InChI=1S/C28H33N3O4S/c1-21(2)35-26-9-5-8-25(19-26)29-28(32)24-7-4-6-23(18-24)20-30-14-16-31(17-15-30)36(33,34)27-12-10-22(3)11-13-27/h4-13,18-19,21H,14-17,20H2,1-3H3,(H,29,32)