4-[2-[1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperidin-4-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonylpiperidin-4-yl]ethyl]benzoic acid Openeye Name: 4-[2-[1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-4-piperidyl]ethyl]benzoic acid CAS Name: 4-[2-[1-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-4-piperidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethyl]benzoic acid Traditional Name: 4-[2-[1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-4-piperidyl]ethyl]benzoic acid Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCC(CC2)CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCC(CC2)CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H27N3O4S/c1-3-22-14-19(15(2)21-22)28(26,27)23-12-10-17(11-13-23)5-4-16-6-8-18(9-7-16)20(24)25/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,24,25)