methyl 2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[3-(1H-pyrazol-5-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[3-(1H-pyrazol-5-yl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[3-(1H-pyrazol-5-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCC(C2)C3=CC=NN3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCC(C2)C3=CC=NN3

InChI

InChI=1S/C16H19N3O4S/c1-23-16(20)13-6-2-3-7-15(13)24(21,22)19-10-4-5-12(11-19)14-8-9-17-18-14/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,17,18)