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

Systemtic Name: methyl 2-[4-[(4-fluoranyl-3-methyl-phenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(4-fluoro-3-methyl-phenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(4-fluoro-3-methylphenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-fluoro-3-methylphenyl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(4-fluoro-3-methyl-benzyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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