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

Systemtic Name: [5-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[cyclopropyl-(3-methyl-1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[cyclopropyl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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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)NC(=O)C)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6S/c1-16(2)13-24(28)26(20-8-9-20)15-18-5-12-22(31-4)23(14-18)32-33(29,30)21-10-6-19(7-11-21)25-17(3)27/h5-7,10-12,14,16,20H,8-9,13,15H2,1-4H3,(H,25,27)