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

Systemtic Name: [3-[[furan-2-ylmethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-furylmethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl-[[4-(methylthio)anilino]-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-furfuryl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)CC3=CC=CO3

InChI

InChI=1S/C21H22N2O5S2/c1-29-20-10-8-17(9-11-20)22-21(24)23(15-19-7-4-12-27-19)14-16-5-3-6-18(13-16)28-30(2,25)26/h3-13H,14-15H2,1-2H3,(H,22,24)