methyl 2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(3-fluoranyl-4-methyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(3-fluoro-4-methyl-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(3-fluoro-4-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(3-fluoro-4-methyl-phenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)F

InChI

InChI=1S/C21H23FN2O5S/c1-14-7-8-16(13-18(14)22)23-20(25)15-9-11-24(12-10-15)30(27,28)19-6-4-3-5-17(19)21(26)29-2/h3-8,13,15H,9-12H2,1-2H3,(H,23,25)