ethyl 5-azanyl-1-(4-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(4-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(4-chlorophenyl)-3-(p-tolylsulfonylamino)pyrazole-4-carboxylate CAS Name: 5-amino-1-(4-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(4-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxylate Traditional Name: 5-amino-1-(4-chlorophenyl)-3-(tosylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C19H19ClN4O4S MolecularWeight: 434.89656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C19H19ClN4O4S/c1-3-28-19(25)16-17(21)24(14-8-6-13(20)7-9-14)22-18(16)23-29(26,27)15-10-4-12(2)5-11-15/h4-11H,3,21H2,1-2H3,(H,22,23)