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

Systemtic Name: [2-methoxy-5-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[isopropyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-methoxy-5-[[(3-methyl-1-oxobutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[isopropyl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31NO6S MolecularWeight: 449.56034

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO6S/c1-16(2)13-23(25)24(17(3)4)15-18-7-12-21(29-6)22(14-18)30-31(26,27)20-10-8-19(28-5)9-11-20/h7-12,14,16-17H,13,15H2,1-6H3