[4-[(3-methylpyridin-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(3-methylpyridin-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(3-methyl-2-pyridyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(3-methyl-2-pyridinyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-methylpyridin-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(3-methyl-2-pyridyl)carbamoyl]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)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC=N3)C

InChI

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