[5-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[m-tolylcarbamoyl(sec-butyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[butan-2-yl-[(3-methylanilino)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[m-tolylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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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=CC(=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-6-16(3)23(21(24)22-18-9-7-8-15(2)12-18)14-17-10-11-19(27-4)20(13-17)28-29(5,25)26/h7-13,16H,6,14H2,1-5H3,(H,22,24)