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

Systemtic Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-hexyl-5-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-hexyl-5-oxo-piperazine-2-carboxylate CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-hexyl-5-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-hexyl-5-oxopiperazine-2-carboxylate Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-hexyl-5-keto-piperazine-2-carboxylic acid methyl ester Formula: C24H29BrN2O5S MolecularWeight: 537.46646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C24H29BrN2O5S/c1-3-4-5-6-15-26-16-22(24(29)32-2)27(17-23(26)28)33(30,31)21-13-9-19(10-14-21)18-7-11-20(25)12-8-18/h7-14,22H,3-6,15-17H2,1-2H3