[4-[[(3,5-dimethoxyphenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3,5-dimethoxyanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3,5-dimethoxyphenyl)carbamoyl-isoamyl-amino]methyl]phenyl] ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O6S/c1-16(2)10-11-24(15-17-6-8-19(9-7-17)30-31(5,26)27)22(25)23-18-12-20(28-3)14-21(13-18)29-4/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,23,25)