[4-(1-pyridin-4-ylethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(1-pyridin-4-ylethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[1-(4-pyridyl)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-(1-pyridin-4-ylethylamino)methyl]phenyl] ester IUPAC Name: [4-(1-pyridin-4-ylethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[1-(4-pyridyl)ethylcarbamoyl]phenyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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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)NC(C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC(C)C3=CC=NC=C3

InChI

InChI=1S/C22H22N2O4S/c1-15-4-5-16(2)21(14-15)29(26,27)28-20-8-6-19(7-9-20)22(25)24-17(3)18-10-12-23-13-11-18/h4-14,17H,1-3H3,(H,24,25)