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

Systemtic Name: methyl 3-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-(2-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(2-fluorophenyl)sulfonylisonipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H25FN2O5S/c1-30-21(26)15-19(16-7-3-2-4-8-16)24-22(27)17-11-13-25(14-12-17)31(28,29)20-10-6-5-9-18(20)23/h2-10,17,19H,11-15H2,1H3,(H,24,27)