propan-2-yl 4-[[2,4-bis(chloranyl)-5-piperidin-1-ylsulfonyl-phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[2,4-bis(chloranyl)-5-piperidin-1-ylsulfonyl-phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[2,4-dichloro-5-(1-piperidylsulfonyl)benzoyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[2,4-dichloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(2,4-dichloro-5-piperidinosulfonyl-benzoyl)amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C21H26Cl2N4O5S MolecularWeight: 517.42594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26Cl2N4O5S/c1-4-26-12-17(19(25-26)21(29)32-13(2)3)24-20(28)14-10-18(16(23)11-15(14)22)33(30,31)27-8-6-5-7-9-27/h10-13H,4-9H2,1-3H3,(H,24,28)