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

Systemtic Name: [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[ethylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[ethylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC)C(C)C

Isomeric SMILES

CCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)OC)C(C)C

InChI

InChI=1S/C21H28N2O6S/c1-6-22-21(24)23(15(2)3)14-16-7-12-19(28-5)20(13-16)29-30(25,26)18-10-8-17(27-4)9-11-18/h7-13,15H,6,14H2,1-5H3,(H,22,24)