[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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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=CC=NC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-15-4-9-20(14-16(15)2)28(25,26)23(3)18-5-7-19(8-6-18)27-21(24)17-10-12-22-13-11-17/h4-14H,1-3H3