1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[(E)-octadec-9-enyl]-5-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[(E)-octadec-9-enyl]-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[(E)-octadec-9-enyl]-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[(E)-octadec-9-enyl]-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[(E)-octadec-9-enyl]-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-keto-4-[(E)-octadec-9-enyl]piperazine-2-carboxylic acid Formula: C35H49BrN2O5S MolecularWeight: 689.74296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C35H49BrN2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-37-27-33(35(40)41)38(28-34(37)39)44(42,43)32-24-20-30(21-25-32)29-18-22-31(36)23-19-29/h9-10,18-25,33H,2-8,11-17,26-28H2,1H3,(H,40,41)/b10-9+