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

Systemtic Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[cyclopropyl-(2-methyl-1-oxopropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[cyclopropyl(isobutyryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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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)NC(=O)C)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-15(2)23(27)25(19-8-9-19)14-17-5-12-21(30-4)22(13-17)31-32(28,29)20-10-6-18(7-11-20)24-16(3)26/h5-7,10-13,15,19H,8-9,14H2,1-4H3,(H,24,26)