[5-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [5-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-[[cyclopropyl-(3-methyl-1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-2-methoxyphenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[cyclopropyl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6S/c1-16(2)13-23(25)24(18-6-7-18)15-17-5-12-21(29-4)22(14-17)30-31(26,27)20-10-8-19(28-3)9-11-20/h5,8-12,14,16,18H,6-7,13,15H2,1-4H3