N-cyclohexyl-4-ethylsulfonyl-2-methyl-1-(2-methylphenyl)-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-cyclohexyl-4-ethylsulfonyl-2-methyl-1-(2-methylphenyl)-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cyclohexyl-4-ethylsulfonyl-2-methyl-1-(o-tolyl)-6-oxo-piperazine-2-carboxamide CAS Name: N-cyclohexyl-4-ethylsulfonyl-2-methyl-1-(2-methylphenyl)-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cyclohexyl-4-ethylsulfonyl-2-methyl-1-(2-methylphenyl)-6-oxopiperazine-2-carboxamide Traditional Name: N-cyclohexyl-4-esyl-6-keto-2-methyl-1-(o-tolyl)piperazine-2-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCC2)C3=CC=CC=C3C

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCC2)C3=CC=CC=C3C

InChI

InChI=1S/C21H31N3O4S/c1-4-29(27,28)23-14-19(25)24(18-13-9-8-10-16(18)2)21(3,15-23)20(26)22-17-11-6-5-7-12-17/h8-10,13,17H,4-7,11-12,14-15H2,1-3H3,(H,22,26)