propan-2-yl 1-ethyl-4-[[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]carbonylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]carbonylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[[1-(4-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[[1-(4-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[[1-(4-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[(1-nosylisonipecotoyl)amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C21H27N5O7S MolecularWeight: 493.53338

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O7S/c1-4-24-13-18(19(23-24)21(28)33-14(2)3)22-20(27)15-9-11-25(12-10-15)34(31,32)17-7-5-16(6-8-17)26(29)30/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,27)