1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-(p-tolylmethyl)piperazine-2-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 6-keto-4-mesyl-2-methyl-N-(4-methylbenzyl)-1-piperonyl-piperazine-2-carboxamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2(CN(CC(=O)N2CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2(CN(CC(=O)N2CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C)C

InChI

InChI=1S/C23H27N3O6S/c1-16-4-6-17(7-5-16)11-24-22(28)23(2)14-25(33(3,29)30)13-21(27)26(23)12-18-8-9-19-20(10-18)32-15-31-19/h4-10H,11-15H2,1-3H3,(H,24,28)