3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[2-(phenylmethyl)butyl]benzamide

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[2-(phenylmethyl)butyl]benzamide Openeye Name: N-(2-benzylbutyl)-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-[2-(phenylmethyl)butyl]benzamide IUPAC Name: N-(2-benzylbutyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-(2-benzylbutyl)-3-[(4-tosylpiperazino)methyl]benzamide Formula: C30H37N3O3S MolecularWeight: 519.69808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)CNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)CNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H37N3O3S/c1-3-25(20-26-8-5-4-6-9-26)22-31-30(34)28-11-7-10-27(21-28)23-32-16-18-33(19-17-32)37(35,36)29-14-12-24(2)13-15-29/h4-15,21,25H,3,16-20,22-23H2,1-2H3,(H,31,34)