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

Systemtic Name: [3-[[2-methylpropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isobutyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methylpropyl-[[4-(methylthio)anilino]-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isobutyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H26N2O4S2/c1-15(2)13-22(20(23)21-17-8-10-19(27-3)11-9-17)14-16-6-5-7-18(12-16)26-28(4,24)25/h5-12,15H,13-14H2,1-4H3,(H,21,23)