[4-[[butyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S2/c1-4-5-14-22(20(23)21-17-8-12-19(27-2)13-9-17)15-16-6-10-18(11-7-16)26-28(3,24)25/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)