methyl 5-azanyl-1-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[2-(4-sulfamoylphenyl)ethylamino]methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)N

InChI

InChI=1S/C20H21N5O5S/c1-30-20(27)17-12-24-25(18(17)21)15-6-4-14(5-7-15)19(26)23-11-10-13-2-8-16(9-3-13)31(22,28)29/h2-9,12H,10-11,21H2,1H3,(H,23,26)(H2,22,28,29)