[2-methoxy-5-[[(3-methoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[(3-methoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isopropyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[[(3-methoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isopropyl-[(3-methoxyphenyl)carbamoyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C20H26N2O6S MolecularWeight: 422.49524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S/c1-14(2)22(20(23)21-16-7-6-8-17(12-16)26-3)13-15-9-10-18(27-4)19(11-15)28-29(5,24)25/h6-12,14H,13H2,1-5H3,(H,21,23)