propan-2-yl 3-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: propan-2-yl 3-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(4-methylphenyl)propanoate Openeye Name: isopropyl 3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-[[[1-(2-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(4-methylphenyl)propanoate Traditional Name: 3-[[1-(2-fluorophenyl)sulfonylisonipecotoyl]amino]-3-(p-tolyl)propionic acid isopropyl ester Formula: C25H31FN2O5S MolecularWeight: 490.587443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H31FN2O5S/c1-17(2)33-24(29)16-22(19-10-8-18(3)9-11-19)27-25(30)20-12-14-28(15-13-20)34(31,32)23-7-5-4-6-21(23)26/h4-11,17,20,22H,12-16H2,1-3H3,(H,27,30)