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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CN(CC2(C)C(=O)NC3CCCCCCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)CN(CC2(C)C(=O)NC3CCCCCCC3)S(=O)(=O)C4=CC=CC=C4

InChI

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