methyl 1-(4-methoxyphenyl)sulfonyl-5-oxidanylidene-4-prop-2-ynyl-piperazine-2-carboxylate

Systemtic Name: methyl 1-(4-methoxyphenyl)sulfonyl-5-oxidanylidene-4-prop-2-ynyl-piperazine-2-carboxylate Openeye Name: methyl 1-(4-methoxyphenyl)sulfonyl-5-oxo-4-prop-2-ynyl-piperazine-2-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-5-oxo-4-prop-2-ynyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methoxyphenyl)sulfonyl-5-oxo-4-prop-2-ynylpiperazine-2-carboxylate Traditional Name: 5-keto-1-(4-methoxyphenyl)sulfonyl-4-propargyl-piperazine-2-carboxylic acid methyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)N(CC2C(=O)OC)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)N(CC2C(=O)OC)CC#C

InChI

InChI=1S/C16H18N2O6S/c1-4-9-17-10-14(16(20)24-3)18(11-15(17)19)25(21,22)13-7-5-12(23-2)6-8-13/h1,5-8,14H,9-11H2,2-3H3