methyl 5-azanyl-1-(4-methylphenyl)sulfonyl-3-phenylazanyl-pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-(4-methylphenyl)sulfonyl-3-phenylazanyl-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-3-anilino-1-(p-tolylsulfonyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-anilino-1-(4-methylphenyl)sulfonyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-3-anilino-1-(4-methylphenyl)sulfonylpyrazole-4-carboxylate Traditional Name: 5-amino-3-anilino-1-tosyl-pyrazole-4-carboxylic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)NC3=CC=CC=C3)C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)NC3=CC=CC=C3)C(=O)OC)N

InChI

InChI=1S/C18H18N4O4S/c1-12-8-10-14(11-9-12)27(24,25)22-16(19)15(18(23)26-2)17(21-22)20-13-6-4-3-5-7-13/h3-11H,19H2,1-2H3,(H,20,21)