methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(6-oxidanylhexyl)-5-oxidanylidene-piperazine-2-carboxylate

Systemtic Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(6-oxidanylhexyl)-5-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(6-hydroxyhexyl)-5-oxo-piperazine-2-carboxylate CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(6-hydroxyhexyl)-5-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxylate Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(6-hydroxyhexyl)-5-keto-piperazine-2-carboxylic acid methyl ester Formula: C24H29BrN2O6S MolecularWeight: 553.46586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)CCCCCCO

Isomeric SMILES

COC(=O)C1CN(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)CCCCCCO

InChI

InChI=1S/C24H29BrN2O6S/c1-33-24(30)22-16-26(14-4-2-3-5-15-28)23(29)17-27(22)34(31,32)21-12-8-19(9-13-21)18-6-10-20(25)11-7-18/h6-13,22,28H,2-5,14-17H2,1H3