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

Systemtic Name: [5-(diethylamino)-2-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-(diethylamino)-2-[[ethylcarbamoyl(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-(diethylamino)-2-[[ethylcarbamoyl(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-(diethylamino)-2-[[ethylcarbamoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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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)C)CC2=CC=CO2

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-5-21-20(24)23(15-18-9-8-12-27-18)14-16-10-11-17(22(6-2)7-3)13-19(16)28-29(4,25)26/h8-13H,5-7,14-15H2,1-4H3,(H,21,24)