2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide

Systemtic Name: 2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Openeye Name: 2-methyl-4-methylsulfonyl-6-oxo-N-(p-tolylmethyl)-1-[2-(2-thienyl)ethyl]piperazine-2-carboxamide CAS Name: 2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxo-1-(2-thiophen-2-ylethyl)-2-piperazinecarboxamide IUPAC Name: 2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxo-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Traditional Name: 6-keto-4-mesyl-2-methyl-N-(4-methylbenzyl)-1-[2-(2-thienyl)ethyl]piperazine-2-carboxamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2(CN(CC(=O)N2CCC3=CC=CS3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2(CN(CC(=O)N2CCC3=CC=CS3)S(=O)(=O)C)C

InChI

InChI=1S/C21H27N3O4S2/c1-16-6-8-17(9-7-16)13-22-20(26)21(2)15-23(30(3,27)28)14-19(25)24(21)11-10-18-5-4-12-29-18/h4-9,12H,10-11,13-15H2,1-3H3,(H,22,26)