propan-2-yl 1-ethyl-4-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(1-besylisonipecotoyl)amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O5S/c1-4-24-14-18(19(23-24)21(27)30-15(2)3)22-20(26)16-10-12-25(13-11-16)31(28,29)17-8-6-5-7-9-17/h5-9,14-16H,4,10-13H2,1-3H3,(H,22,26)