ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]ethanoate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-[(1-methylpyrazol-4-yl)methyl]-4-piperidyl]acetate CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]acetate Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1-[(1-methylpyrazol-4-yl)methyl]-4-piperidyl]acetic acid ethyl ester Formula: C20H26FN3O4S MolecularWeight: 423.501543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCN(CC1)CC2=CN(N=C2)C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CC1(CCN(CC1)CC2=CN(N=C2)C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H26FN3O4S/c1-3-28-19(25)12-20(29(26,27)18-6-4-17(21)5-7-18)8-10-24(11-9-20)15-16-13-22-23(2)14-16/h4-7,13-14H,3,8-12,15H2,1-2H3