[5-(diethylamino)-2-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [5-(diethylamino)-2-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[[ethylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-(diethylamino)-2-[[ethylcarbamoyl(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[[ethylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)CC)CC2=CC=CO2

Isomeric SMILES

CCNC(=O)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)CC)CC2=CC=CO2

InChI

InChI=1S/C21H31N3O5S/c1-5-22-21(25)24(16-19-10-9-13-28-19)15-17-11-12-18(23(6-2)7-3)14-20(17)29-30(26,27)8-4/h9-14H,5-8,15-16H2,1-4H3,(H,22,25)