[4-[[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(4-acetamidophenyl)sulfonyl-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H24N2O7S2 MolecularWeight: 492.56516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O7S2/c1-3-32(26,27)31-20-10-6-18(7-11-20)15-24(16-21-5-4-14-30-21)33(28,29)22-12-8-19(9-13-22)23-17(2)25/h4-14H,3,15-16H2,1-2H3,(H,23,25)