[4-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[isobutyl(3-methylbutanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[(3-methyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[isobutyl(isovaleryl)amino]methyl]phenyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5S/c1-17(2)14-23(25)24(15-18(3)4)16-19-6-8-21(9-7-19)29-30(26,27)22-12-10-20(28-5)11-13-22/h6-13,17-18H,14-16H2,1-5H3