1-[4-(4-bromophenyl)phenyl]sulfonyl-4-hexyl-5-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-hexyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-hexyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-hexyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-hexyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-hexyl-5-keto-piperazine-2-carboxylic acid Formula: C23H27BrN2O5S MolecularWeight: 523.43988

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN2O5S/c1-2-3-4-5-14-25-15-21(23(28)29)26(16-22(25)27)32(30,31)20-12-8-18(9-13-20)17-6-10-19(24)11-7-17/h6-13,21H,2-5,14-16H2,1H3,(H,28,29)