[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrazolyl)-3-pyridinecarboxylic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrazol-1-ylnicotinic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=C(N=CC=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=C(N=CC=C3)N4C=CC=N4)C

InChI

InChI=1S/C24H22N4O4S/c1-17-7-12-21(16-18(17)2)33(30,31)27(3)19-8-10-20(11-9-19)32-24(29)22-6-4-13-25-23(22)28-15-5-14-26-28/h4-16H,1-3H3