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

Systemtic Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-decyl-5-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-decyl-5-oxo-piperazine-2-carboxylate CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-decyl-5-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-decyl-5-oxopiperazine-2-carboxylate Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-decyl-5-keto-piperazine-2-carboxylic acid methyl ester Formula: C28H37BrN2O5S MolecularWeight: 593.57278

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H37BrN2O5S/c1-3-4-5-6-7-8-9-10-19-30-20-26(28(33)36-2)31(21-27(30)32)37(34,35)25-17-13-23(14-18-25)22-11-15-24(29)16-12-22/h11-18,26H,3-10,19-21H2,1-2H3