methyl 4-[5-[4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]benzoate

Systemtic Name: methyl 4-[5-[4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]benzoate Openeye Name: methyl 4-[5-[4-methylsulfonyl-2-(tetrahydropyran-2-yloxycarbamoyl)piperazin-1-yl]sulfonyl-2-thienyl]benzoate CAS Name: 4-[5-[[4-methylsulfonyl-2-[(2-oxanyloxyamino)-oxomethyl]-1-piperazinyl]sulfonyl]-2-thiophenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]benzoate Traditional Name: 4-[5-[4-mesyl-2-(tetrahydropyran-2-yloxycarbamoyl)piperazino]sulfonyl-2-thienyl]benzoic acid methyl ester Formula: C23H29N3O9S3 MolecularWeight: 587.68606

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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)NOC4CCCCO4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3C(=O)NOC4CCCCO4)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O9S3/c1-33-23(28)17-8-6-16(7-9-17)19-10-11-21(36-19)38(31,32)26-13-12-25(37(2,29)30)15-18(26)22(27)24-35-20-5-3-4-14-34-20/h6-11,18,20H,3-5,12-15H2,1-2H3,(H,24,27)