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

Systemtic Name: N-cyclooctyl-2-methyl-1-(2-methylphenyl)-6-oxidanylidene-4-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-cyclooctyl-2-methyl-1-(o-tolyl)-6-oxo-piperazine-2-carboxamide CAS Name: 4-(benzenesulfonyl)-N-cyclooctyl-2-methyl-1-(2-methylphenyl)-6-oxo-2-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-cyclooctyl-2-methyl-1-(2-methylphenyl)-6-oxopiperazine-2-carboxamide Traditional Name: 4-besyl-N-cyclooctyl-6-keto-2-methyl-1-(o-tolyl)piperazine-2-carboxamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CN(CC2(C)C(=O)NC3CCCCCCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)CN(CC2(C)C(=O)NC3CCCCCCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O4S/c1-21-13-11-12-18-24(21)30-25(31)19-29(35(33,34)23-16-9-6-10-17-23)20-27(30,2)26(32)28-22-14-7-4-3-5-8-15-22/h6,9-13,16-18,22H,3-5,7-8,14-15,19-20H2,1-2H3,(H,28,32)