[4-[[butyl-(3,5-dimethoxyphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[butyl-(3,5-dimethoxyphenyl)carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butyl-(3,5-dimethoxybenzoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-[(3,5-dimethoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-(3,5-dimethoxybenzoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyl-(3,5-dimethoxybenzoyl)amino]methyl]phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H27NO6S/c1-5-6-11-22(15-16-7-9-18(10-8-16)28-29(4,24)25)21(23)17-12-19(26-2)14-20(13-17)27-3/h7-10,12-14H,5-6,11,15H2,1-4H3