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

Systemtic Name: [5-[[butan-2-yl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[(4-methylsulfanylphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[butan-2-yl-[[4-(methylthio)anilino]-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[[4-(methylthio)phenyl]carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S2/c1-6-15(2)23(21(24)22-17-8-10-18(29-4)11-9-17)14-16-7-12-19(27-3)20(13-16)28-30(5,25)26/h7-13,15H,6,14H2,1-5H3,(H,22,24)