[5-[[furan-2-ylmethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[2-furylmethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[2-furanylmethyl-[[4-(methylthio)anilino]-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[2-furfuryl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)SC)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)SC)OS(=O)(=O)C

InChI

InChI=1S/C22H24N2O6S2/c1-28-20-11-6-16(13-21(20)30-32(3,26)27)14-24(15-18-5-4-12-29-18)22(25)23-17-7-9-19(31-2)10-8-17/h4-13H,14-15H2,1-3H3,(H,23,25)