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

Systemtic Name: [3-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isopropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[[4-(methylthio)anilino]-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isopropyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S2/c1-14(2)21(19(22)20-16-8-10-18(26-3)11-9-16)13-15-6-5-7-17(12-15)25-27(4,23)24/h5-12,14H,13H2,1-4H3,(H,20,22)