[4-[[(2,6-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(2,6-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2,6-dimethylphenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2,6-dimethylanilino)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2,6-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(2,6-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=C(C=CC=C3C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)NC3=C(C=CC=C3C)C

InChI

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