methyl 3-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[1-(2-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[1-(2-fluorophenyl)sulfonylisonipecotoyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C24H28FN3O5S MolecularWeight: 489.559623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C24H28FN3O5S/c1-33-24(30)18-8-9-21(27-12-4-5-13-27)20(16-18)26-23(29)17-10-14-28(15-11-17)34(31,32)22-7-3-2-6-19(22)25/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,26,29)