N-(2-methylbutan-2-yl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(2-methylbutan-2-yl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(1,1-dimethylpropyl)benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(2-methylbutan-2-yl)benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-methylbutan-2-yl)benzamide Traditional Name: N-tert-amyl-4-[(4-besylpiperazino)methyl]benzamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)NC(=O)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-4-23(2,3)24-22(27)20-12-10-19(11-13-20)18-25-14-16-26(17-15-25)30(28,29)21-8-6-5-7-9-21/h5-13H,4,14-18H2,1-3H3,(H,24,27)