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

Systemtic Name: N-cycloheptyl-4-ethylsulfonyl-2-methyl-1-(2-methylphenyl)-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cycloheptyl-4-ethylsulfonyl-2-methyl-1-(o-tolyl)-6-oxo-piperazine-2-carboxamide CAS Name: N-cycloheptyl-4-ethylsulfonyl-2-methyl-1-(2-methylphenyl)-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cycloheptyl-4-ethylsulfonyl-2-methyl-1-(2-methylphenyl)-6-oxopiperazine-2-carboxamide Traditional Name: N-cycloheptyl-4-esyl-6-keto-2-methyl-1-(o-tolyl)piperazine-2-carboxamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCCC2)C3=CC=CC=C3C

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCCC2)C3=CC=CC=C3C

InChI

InChI=1S/C22H33N3O4S/c1-4-30(28,29)24-15-20(26)25(19-14-10-9-11-17(19)2)22(3,16-24)21(27)23-18-12-7-5-6-8-13-18/h9-11,14,18H,4-8,12-13,15-16H2,1-3H3,(H,23,27)