2-methyl-1-(2-methylphenyl)-4-methylsulfonyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: 2-methyl-1-(2-methylphenyl)-4-methylsulfonyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide Openeye Name: N-benzyl-2-methyl-4-methylsulfonyl-1-(o-tolyl)-6-oxo-piperazine-2-carboxamide CAS Name: 2-methyl-1-(2-methylphenyl)-4-methylsulfonyl-6-oxo-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: N-benzyl-2-methyl-1-(2-methylphenyl)-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-benzyl-6-keto-4-mesyl-2-methyl-1-(o-tolyl)piperazine-2-carboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CN(CC2(C)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)CN(CC2(C)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-16-9-7-8-12-18(16)24-19(25)14-23(29(3,27)28)15-21(24,2)20(26)22-13-17-10-5-4-6-11-17/h4-12H,13-15H2,1-3H3,(H,22,26)