[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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