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

Systemtic Name: [3-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[ethylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[ethylcarbamoyl(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[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=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CO3

Isomeric SMILES

CCNC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CO3

InChI

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