methyl 4-fluoranyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-fluoro-3-[[1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 4-fluoro-3-[[[1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-fluoro-3-[[1-[(5-methyl-2-thienyl)sulfonyl]nipecotoyl]amino]benzoic acid methyl ester Formula: C19H21FN2O5S2 MolecularWeight: 440.508843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

InChI

InChI=1S/C19H21FN2O5S2/c1-12-5-8-17(28-12)29(25,26)22-9-3-4-14(11-22)18(23)21-16-10-13(19(24)27-2)6-7-15(16)20/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,21,23)