[4-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(3,4-dimethylanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(3,4-dimethylphenyl)carbamoyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H26N2O5S/c1-4-31(27,28)30-21-11-8-19(9-12-21)15-25(16-22-6-5-13-29-22)23(26)24-20-10-7-17(2)18(3)14-20/h5-14H,4,15-16H2,1-3H3,(H,24,26)