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

Systemtic Name: [4-[[(4-methylsulfanylphenyl)carbamoyl-(phenylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[[4-(methylthio)anilino]-oxomethyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OS(=O)(=O)C

InChI

InChI=1S/C23H24N2O4S2/c1-30-22-14-10-20(11-15-22)24-23(26)25(16-18-6-4-3-5-7-18)17-19-8-12-21(13-9-19)29-31(2,27)28/h3-15H,16-17H2,1-2H3,(H,24,26)