2-methyl-1-(3-methylbutyl)-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 2-methyl-1-(3-methylbutyl)-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-isopentyl-2-methyl-4-methylsulfonyl-6-oxo-N-(p-tolylmethyl)piperazine-2-carboxamide CAS Name: 2-methyl-1-(3-methylbutyl)-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 2-methyl-1-(3-methylbutyl)-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-isoamyl-6-keto-4-mesyl-2-methyl-N-(4-methylbenzyl)piperazine-2-carboxamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2(CN(CC(=O)N2CCC(C)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2(CN(CC(=O)N2CCC(C)C)S(=O)(=O)C)C

InChI

InChI=1S/C20H31N3O4S/c1-15(2)10-11-23-18(24)13-22(28(5,26)27)14-20(23,4)19(25)21-12-17-8-6-16(3)7-9-17/h6-9,15H,10-14H2,1-5H3,(H,21,25)