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

Systemtic Name: [4-[[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-acetamidophenyl)sulfonyl-(2-furylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-(2-furfuryl)amino]methyl]phenyl] ester Formula: C21H22N2O7S2 MolecularWeight: 478.53858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C21H22N2O7S2/c1-16(24)22-18-7-11-21(12-8-18)32(27,28)23(15-20-4-3-13-29-20)14-17-5-9-19(10-6-17)30-31(2,25)26/h3-13H,14-15H2,1-2H3,(H,22,24)