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

Systemtic Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-[[cyclopropyl-(2-methyl-1-oxopropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxyphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[cyclopropyl(isobutyryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6S/c1-15(2)22(24)23(17-6-7-17)14-16-5-12-20(28-4)21(13-16)29-30(25,26)19-10-8-18(27-3)9-11-19/h5,8-13,15,17H,6-7,14H2,1-4H3