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

Systemtic Name: methyl 3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-2-methyl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-2-methylbenzoate Traditional Name: 3-[[1-(2-fluorobenzyl)sulfonylisonipecotoyl]amino]-2-methyl-benzoic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F)C(=O)OC

InChI

InChI=1S/C22H25FN2O5S/c1-15-18(22(27)30-2)7-5-9-20(15)24-21(26)16-10-12-25(13-11-16)31(28,29)14-17-6-3-4-8-19(17)23/h3-9,16H,10-14H2,1-2H3,(H,24,26)