methyl 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[3-(4-methyl-1H-pyrazol-5-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[3-(4-methyl-1H-pyrazol-5-yl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[3-(4-methyl-1H-pyrazol-5-yl)piperidino]sulfonylbenzoic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(NN=C1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C17H21N3O4S/c1-12-10-18-19-16(12)13-6-5-9-20(11-13)25(22,23)15-8-4-3-7-14(15)17(21)24-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,18,19)