[3-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isobutyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(3-methoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isobutyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-15(2)13-22(20(23)21-17-8-6-9-18(12-17)26-3)14-16-7-5-10-19(11-16)27-28(4,24)25/h5-12,15H,13-14H2,1-4H3,(H,21,23)