methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(3-butoxypropyl)-5-oxidanylidene-piperazine-2-carboxylate

Systemtic Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(3-butoxypropyl)-5-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(3-butoxypropyl)-5-oxo-piperazine-2-carboxylate CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(3-butoxypropyl)-5-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(3-butoxypropyl)-5-oxopiperazine-2-carboxylate Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-(3-butoxypropyl)-5-keto-piperazine-2-carboxylic acid methyl ester Formula: C25H31BrN2O6S MolecularWeight: 567.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCCCOCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C25H31BrN2O6S/c1-3-4-15-34-16-5-14-27-17-23(25(30)33-2)28(18-24(27)29)35(31,32)22-12-8-20(9-13-22)19-6-10-21(26)11-7-19/h6-13,23H,3-5,14-18H2,1-2H3