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

Systemtic Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-dodecyl-5-oxidanylidene-piperazine-2-carboxylate Openeye Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-dodecyl-5-oxo-piperazine-2-carboxylate CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-dodecyl-5-oxo-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-4-dodecyl-5-oxopiperazine-2-carboxylate Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-keto-4-lauryl-piperazine-2-carboxylic acid methyl ester Formula: C30H41BrN2O5S MolecularWeight: 621.62594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C30H41BrN2O5S/c1-3-4-5-6-7-8-9-10-11-12-21-32-22-28(30(35)38-2)33(23-29(32)34)39(36,37)27-19-15-25(16-20-27)24-13-17-26(31)18-14-24/h13-20,28H,3-12,21-23H2,1-2H3