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

Systemtic Name: N-cyclooctyl-4-ethylsulfonyl-2-methyl-1-(2-methylphenyl)-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-cyclooctyl-4-ethylsulfonyl-2-methyl-1-(o-tolyl)-6-oxo-piperazine-2-carboxamide CAS Name: N-cyclooctyl-4-ethylsulfonyl-2-methyl-1-(2-methylphenyl)-6-oxo-2-piperazinecarboxamide IUPAC Name: N-cyclooctyl-4-ethylsulfonyl-2-methyl-1-(2-methylphenyl)-6-oxopiperazine-2-carboxamide Traditional Name: N-cyclooctyl-4-esyl-6-keto-2-methyl-1-(o-tolyl)piperazine-2-carboxamide Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCCCC2)C3=CC=CC=C3C

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NC2CCCCCCC2)C3=CC=CC=C3C

InChI

InChI=1S/C23H35N3O4S/c1-4-31(29,30)25-16-21(27)26(20-15-11-10-12-18(20)2)23(3,17-25)22(28)24-19-13-8-6-5-7-9-14-19/h10-12,15,19H,4-9,13-14,16-17H2,1-3H3,(H,24,28)