ethyl 3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[1-[(2-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1-(2-fluorobenzyl)sulfonylisonipecotoyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O5S/c1-3-31-23(28)18-9-8-16(2)21(14-18)25-22(27)17-10-12-26(13-11-17)32(29,30)15-19-6-4-5-7-20(19)24/h4-9,14,17H,3,10-13,15H2,1-2H3,(H,25,27)