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

Systemtic Name: 1-(2,3-dimethylphenyl)-2-methyl-6-oxidanylidene-N-(phenylmethyl)-4-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-benzyl-1-(2,3-dimethylphenyl)-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 4-(benzenesulfonyl)-1-(2,3-dimethylphenyl)-2-methyl-6-oxo-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-benzyl-1-(2,3-dimethylphenyl)-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: N-benzyl-4-besyl-1-(2,3-dimethylphenyl)-6-keto-2-methyl-piperazine-2-carboxamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)CN(CC2(C)C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H29N3O4S/c1-20-11-10-16-24(21(20)2)30-25(31)18-29(35(33,34)23-14-8-5-9-15-23)19-27(30,3)26(32)28-17-22-12-6-4-7-13-22/h4-16H,17-19H2,1-3H3,(H,28,32)