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

Systemtic Name: [2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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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)C3CC3

Isomeric SMILES

CCNC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C20H24N2O5S/c1-3-21-20(23)22(16-8-9-16)14-15-6-4-5-7-19(15)27-28(24,25)18-12-10-17(26-2)11-13-18/h4-7,10-13,16H,3,8-9,14H2,1-2H3,(H,21,23)