methyl 4-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-3-(oxan-2-yloxycarbamoyl)piperazine-1-carboxylate

Systemtic Name: methyl 4-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-3-(oxan-2-yloxycarbamoyl)piperazine-1-carboxylate Openeye Name: methyl 4-[[5-(4-fluorophenyl)-2-thienyl]sulfonyl]-3-(tetrahydropyran-2-yloxycarbamoyl)piperazine-1-carboxylate CAS Name: 4-[[5-(4-fluorophenyl)-2-thiophenyl]sulfonyl]-3-[(2-oxanyloxyamino)-oxomethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-3-(oxan-2-yloxycarbamoyl)piperazine-1-carboxylate Traditional Name: 4-[[5-(4-fluorophenyl)-2-thienyl]sulfonyl]-3-(tetrahydropyran-2-yloxycarbamoyl)piperazine-1-carboxylic acid methyl ester Formula: C22H26FN3O7S2 MolecularWeight: 527.586143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)N1CCN(C(C1)C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN3O7S2/c1-31-22(28)25-11-12-26(17(14-25)21(27)24-33-19-4-2-3-13-32-19)35(29,30)20-10-9-18(34-20)15-5-7-16(23)8-6-15/h5-10,17,19H,2-4,11-14H2,1H3,(H,24,27)