[5-[[butan-2-yl(cyclobutylcarbonyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[[butan-2-yl(cyclobutylcarbonyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[cyclobutanecarbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[butan-2-yl-[cyclobutyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(cyclobutanecarbonyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[cyclobutanecarbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3CCC3

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3CCC3

InChI

InChI=1S/C25H32N2O6S/c1-5-17(2)27(25(29)20-7-6-8-20)16-19-9-14-23(32-4)24(15-19)33-34(30,31)22-12-10-21(11-13-22)26-18(3)28/h9-15,17,20H,5-8,16H2,1-4H3,(H,26,28)