[4-[(2-methoxypyridin-3-yl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(2-methoxypyridin-3-yl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2-methoxy-3-pyridyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(2-methoxy-3-pyridinyl)methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-methoxypyridin-3-yl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-methoxy-3-pyridyl)methylcarbamoyl]phenyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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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)NCC3=C(N=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=C(N=CC=C3)OC

InChI

InChI=1S/C22H22N2O5S/c1-15-6-7-16(2)20(13-15)30(26,27)29-19-10-8-17(9-11-19)21(25)24-14-18-5-4-12-23-22(18)28-3/h4-13H,14H2,1-3H3,(H,24,25)