[2-azanyl-3-(3,5-dimethoxyphenyl)-5-methyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-azanyl-3-(3,5-dimethoxyphenyl)-5-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-amino-3-(3,5-dimethoxyphenyl)-5-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-amino-3-(3,5-dimethoxyphenyl)-5-methylphenyl] ester IUPAC Name: [2-amino-3-(3,5-dimethoxyphenyl)-5-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-amino-3-(3,5-dimethoxyphenyl)-5-methyl-phenyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c1-14-5-7-19(8-6-14)29(24,25)28-21-10-15(2)9-20(22(21)23)16-11-17(26-3)13-18(12-16)27-4/h5-13H,23H2,1-4H3