[4-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[cyclopropyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[cyclopropyl(isobutyryl)amino]methyl]phenyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C21H25NO5S/c1-15(2)21(23)22(17-6-7-17)14-16-4-8-19(9-5-16)27-28(24,25)20-12-10-18(26-3)11-13-20/h4-5,8-13,15,17H,6-7,14H2,1-3H3