[4-[[furan-2-ylmethyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[furan-2-ylmethyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[benzylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-furanylmethyl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[benzylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[benzylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S/c1-2-30(26,27)29-20-12-10-19(11-13-20)16-24(17-21-9-6-14-28-21)22(25)23-15-18-7-4-3-5-8-18/h3-14H,2,15-17H2,1H3,(H,23,25)