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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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