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

Systemtic Name: 2-methyl-1-[(3-methylphenyl)methyl]-4-methylsulfonyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide Openeye Name: N-benzyl-2-methyl-4-methylsulfonyl-1-(m-tolylmethyl)-6-oxo-piperazine-2-carboxamide CAS Name: 2-methyl-1-[(3-methylphenyl)methyl]-4-methylsulfonyl-6-oxo-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: N-benzyl-2-methyl-1-[(3-methylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-benzyl-6-keto-4-mesyl-2-methyl-1-(3-methylbenzyl)piperazine-2-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=O)CN(CC2(C)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=O)CN(CC2(C)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O4S/c1-17-8-7-11-19(12-17)14-25-20(26)15-24(30(3,28)29)16-22(25,2)21(27)23-13-18-9-5-4-6-10-18/h4-12H,13-16H2,1-3H3,(H,23,27)