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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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