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

Systemtic Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxidanylidene-4-prop-2-ynyl-piperazine-2-carboxylate Openeye Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxo-4-prop-2-ynyl-piperazine-2-carboxylate CAS Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxo-4-prop-2-ynyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-oxo-4-prop-2-ynylpiperazine-2-carboxylate Traditional Name: 1-[4-(4-bromophenyl)phenyl]sulfonyl-5-keto-4-propargyl-piperazine-2-carboxylic acid methyl ester Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)CC#C

Isomeric SMILES

COC(=O)C1CN(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)CC#C

InChI

InChI=1S/C21H19BrN2O5S/c1-3-12-23-13-19(21(26)29-2)24(14-20(23)25)30(27,28)18-10-6-16(7-11-18)15-4-8-17(22)9-5-15/h1,4-11,19H,12-14H2,2H3