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

Systemtic Name: [5-(diethylamino)-2-[[furan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[[2-furylmethyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-(diethylamino)-2-[[2-furanylmethyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[furan-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[[2-furfuryl(2-thenoyl)amino]methyl]phenyl] ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CS3)OS(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CS3)OS(=O)(=O)CC

InChI

InChI=1S/C23H28N2O5S2/c1-4-24(5-2)19-12-11-18(21(15-19)30-32(27,28)6-3)16-25(17-20-9-7-13-29-20)23(26)22-10-8-14-31-22/h7-15H,4-6,16-17H2,1-3H3