methyl 3-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(4-fluoro-3-piperidinosulfonyl-benzoyl)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)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23FN2O5S2/c1-28-19(24)13-16(17-6-5-11-29-17)22-20(25)14-7-8-15(21)18(12-14)30(26,27)23-9-3-2-4-10-23/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,22,25)