1-(3,5-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: 1-(3,5-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxidanylidene-N-(phenylmethyl)piperazine-2-carboxamide Openeye Name: N-benzyl-1-(3,5-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(3,5-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxo-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: N-benzyl-1-(3,5-dimethylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-benzyl-1-(3,5-dimethylphenyl)-6-keto-4-mesyl-2-methyl-piperazine-2-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C22H27N3O4S/c1-16-10-17(2)12-19(11-16)25-20(26)14-24(30(4,28)29)15-22(25,3)21(27)23-13-18-8-6-5-7-9-18/h5-12H,13-15H2,1-4H3,(H,23,27)