3-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 3-methyl-N-[3-methylsulfonyl-1-[4-(o-tolylmethyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 3-methyl-N-[1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide IUPAC Name: 3-methyl-N-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[3-mesyl-1-[4-(2-methylbenzyl)piperazine-1-carbonyl]propyl]-3-methyl-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)N2CCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)N2CCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C25H33N3O4S/c1-19-7-6-10-21(17-19)24(29)26-23(11-16-33(3,31)32)25(30)28-14-12-27(13-15-28)18-22-9-5-4-8-20(22)2/h4-10,17,23H,11-16,18H2,1-3H3,(H,26,29)