[2-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [2-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[ethylcarbamoyl(isopropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [2-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[ethylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC)C(C)C

Isomeric SMILES

CCNC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC)C(C)C

InChI

InChI=1S/C20H26N2O5S/c1-5-21-20(23)22(15(2)3)14-16-8-6-7-9-19(16)27-28(24,25)18-12-10-17(26-4)11-13-18/h6-13,15H,5,14H2,1-4H3,(H,21,23)