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

Systemtic Name: [2-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[ethylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[ethylcarbamoyl(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[ethylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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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)CC3=CC=CO3

Isomeric SMILES

CCNC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CO3

InChI

InChI=1S/C22H24N2O6S/c1-3-23-22(25)24(16-19-8-6-14-29-19)15-17-7-4-5-9-21(17)30-31(26,27)20-12-10-18(28-2)11-13-20/h4-14H,3,15-16H2,1-2H3,(H,23,25)