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

Systemtic Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[(E)-octadec-9-enyl]-5-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[(E)-octadec-9-enyl]-5-oxo-piperazine-2-carboxylate CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[(E)-octadec-9-enyl]-5-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-[(E)-octadec-9-enyl]-5-oxopiperazine-2-carboxylate Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-keto-4-[(E)-octadec-9-enyl]piperazine-2-carboxylic acid methyl ester Formula: C36H51BrN2O5S MolecularWeight: 703.76954

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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)OC

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)OC

InChI

InChI=1S/C36H51BrN2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-38-28-34(36(41)44-2)39(29-35(38)40)45(42,43)33-25-21-31(22-26-33)30-19-23-32(37)24-20-30/h10-11,19-26,34H,3-9,12-18,27-29H2,1-2H3/b11-10+