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

Systemtic Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-decyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-decyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-decyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-decyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-decyl-5-keto-piperazine-2-carboxylic acid Formula: C27H35BrN2O5S MolecularWeight: 579.5462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCCCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C27H35BrN2O5S/c1-2-3-4-5-6-7-8-9-18-29-19-25(27(32)33)30(20-26(29)31)36(34,35)24-16-12-22(13-17-24)21-10-14-23(28)15-11-21/h10-17,25H,2-9,18-20H2,1H3,(H,32,33)