N-(4-methyl-4-phenyl-pentan-2-yl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-(4-methyl-4-phenyl-pentan-2-yl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-(1,3-dimethyl-3-phenyl-butyl)-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-(4-methyl-4-phenylpentan-2-yl)-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: N-(4-methyl-4-phenylpentan-2-yl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-(1,3-dimethyl-3-phenyl-butyl)-3-[(4-tosylpiperazino)methyl]benzamide Formula: C31H39N3O3S MolecularWeight: 533.72466

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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)NC(C)CC(C)(C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C31H39N3O3S/c1-24-13-15-29(16-14-24)38(36,37)34-19-17-33(18-20-34)23-26-9-8-10-27(21-26)30(35)32-25(2)22-31(3,4)28-11-6-5-7-12-28/h5-16,21,25H,17-20,22-23H2,1-4H3,(H,32,35)