methyl 2-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[1-(2-fluorobenzyl)sulfonylisonipecotoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C23H27FN2O7S MolecularWeight: 494.533083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F)OC

InChI

InChI=1S/C23H27FN2O7S/c1-31-20-12-17(23(28)33-3)19(13-21(20)32-2)25-22(27)15-8-10-26(11-9-15)34(29,30)14-16-6-4-5-7-18(16)24/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,27)