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

Systemtic Name: ethyl 5-azanyl-3-[(4-methylphenyl)sulfonylamino]-1-(4-nitrophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(4-nitrophenyl)-3-(p-tolylsulfonylamino)pyrazole-4-carboxylate CAS Name: 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-(4-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-methylphenyl)sulfonylamino]-1-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(4-nitrophenyl)-3-(tosylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C19H19N5O6S MolecularWeight: 445.44906

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

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H19N5O6S/c1-3-30-19(25)16-17(20)23(13-6-8-14(9-7-13)24(26)27)21-18(16)22-31(28,29)15-10-4-12(2)5-11-15/h4-11H,3,20H2,1-2H3,(H,21,22)