N-(2,4-dimethylpentan-3-yl)-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(2,4-dimethylpentan-3-yl)-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(1-isopropyl-2-methyl-propyl)benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(2,4-dimethylpentan-3-yl)benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2,4-dimethylpentan-3-yl)benzamide Traditional Name: 3-[(4-besylpiperazino)methyl]-N-(1-isopropyl-2-methyl-propyl)benzamide Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3S/c1-19(2)24(20(3)4)26-25(29)22-10-8-9-21(17-22)18-27-13-15-28(16-14-27)32(30,31)23-11-6-5-7-12-23/h5-12,17,19-20,24H,13-16,18H2,1-4H3,(H,26,29)