methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H23FN2O5S2 MolecularWeight: 454.535423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O5S2/c1-28-19(24)13-17(18-3-2-12-29-18)22-20(25)14-8-10-23(11-9-14)30(26,27)16-6-4-15(21)5-7-16/h2-7,12,14,17H,8-11,13H2,1H3,(H,22,25)