methyl 1-[4-[(4-chlorophenyl)carbonylamino]phenyl]sulfonyl-4-octyl-5-oxidanylidene-piperazine-2-carboxylate

Systemtic Name: methyl 1-[4-[(4-chlorophenyl)carbonylamino]phenyl]sulfonyl-4-octyl-5-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 1-[4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-4-octyl-5-oxo-piperazine-2-carboxylate CAS Name: 1-[4-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]sulfonyl-4-octyl-5-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-4-octyl-5-oxopiperazine-2-carboxylate Traditional Name: 1-[4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-5-keto-4-octyl-piperazine-2-carboxylic acid methyl ester Formula: C27H34ClN3O6S MolecularWeight: 564.09336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C27H34ClN3O6S/c1-3-4-5-6-7-8-17-30-18-24(27(34)37-2)31(19-25(30)32)38(35,36)23-15-13-22(14-16-23)29-26(33)20-9-11-21(28)12-10-20/h9-16,24H,3-8,17-19H2,1-2H3,(H,29,33)