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

Systemtic Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-octyl-5-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-octyl-5-oxo-piperazine-2-carboxylate CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-octyl-5-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-octyl-5-oxopiperazine-2-carboxylate Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-keto-4-octyl-piperazine-2-carboxylic acid methyl ester Formula: C26H33BrN2O5S MolecularWeight: 565.51962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33BrN2O5S/c1-3-4-5-6-7-8-17-28-18-24(26(31)34-2)29(19-25(28)30)35(32,33)23-15-11-21(12-16-23)20-9-13-22(27)14-10-20/h9-16,24H,3-8,17-19H2,1-2H3