[4-[(4-hydroxyphenyl)-methyl-carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(4-hydroxyphenyl)-methyl-carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(4-hydroxyphenyl)-methyl-carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(4-hydroxy-N-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-hydroxyphenyl)-methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(4-hydroxyphenyl)-methyl-carbamoyl]phenyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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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)N(C)C3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S/c1-15-4-5-16(2)21(14-15)29(26,27)28-20-12-6-17(7-13-20)22(25)23(3)18-8-10-19(24)11-9-18/h4-14,24H,1-3H3