methyl 4-[5-[(2R)-4-methylsulfonyl-2-(oxidanylcarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]benzoate

Systemtic Name: methyl 4-[5-[(2R)-4-methylsulfonyl-2-(oxidanylcarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]benzoate Openeye Name: methyl 4-[5-[(2R)-2-(hydroxycarbamoyl)-4-methylsulfonyl-piperazin-1-yl]sulfonyl-2-thienyl]benzoate CAS Name: 4-[5-[[(2R)-2-[(hydroxyamino)-oxomethyl]-4-methylsulfonyl-1-piperazinyl]sulfonyl]-2-thiophenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(2R)-2-(hydroxycarbamoyl)-4-methylsulfonylpiperazin-1-yl]sulfonylthiophen-2-yl]benzoate Traditional Name: 4-[5-[(2R)-2-(hydroxycarbamoyl)-4-mesyl-piperazino]sulfonyl-2-thienyl]benzoic acid methyl ester Formula: C18H21N3O8S3 MolecularWeight: 503.56964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3C(=O)NO)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(C[C@@H]3C(=O)NO)S(=O)(=O)C

InChI

InChI=1S/C18H21N3O8S3/c1-29-18(23)13-5-3-12(4-6-13)15-7-8-16(30-15)32(27,28)21-10-9-20(31(2,25)26)11-14(21)17(22)19-24/h3-8,14,24H,9-11H2,1-2H3,(H,19,22)/t14-/m1/s1