[2-[[tert-butylcarbamoyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [2-[[tert-butylcarbamoyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-(2-dimethylaminoethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(2-dimethylaminoethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[tert-butylcarbamoyl(2-dimethylaminoethyl)amino]methyl]phenyl] ester Formula: C23H33N3O5S MolecularWeight: 463.59022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CCN(C)C)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)N(CCN(C)C)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C23H33N3O5S/c1-23(2,3)24-22(27)26(16-15-25(4)5)17-18-9-7-8-10-21(18)31-32(28,29)20-13-11-19(30-6)12-14-20/h7-14H,15-17H2,1-6H3,(H,24,27)