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

Systemtic Name: [4-[[(4-methylsulfanylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-methylsulfanylphenyl)carbamoyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[[4-(methylthio)anilino]-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-methylsulfanylphenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[4-(methylthio)phenyl]carbamoyl-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N(CC2CCCO2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S2/c1-29-20-11-7-17(8-12-20)22-21(24)23(15-19-4-3-13-27-19)14-16-5-9-18(10-6-16)28-30(2,25)26/h5-12,19H,3-4,13-15H2,1-2H3,(H,22,24)