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

Systemtic Name: [5-[[butan-2-yl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-methoxy-5-[[3-methylbutanoyl(sec-butyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[butan-2-yl-(3-methyl-1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(3-methylbutanoyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[isovaleryl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O6S/c1-7-18(4)27(25(29)14-17(2)3)16-20-8-13-23(32-6)24(15-20)33-34(30,31)22-11-9-21(10-12-22)26-19(5)28/h8-13,15,17-18H,7,14,16H2,1-6H3,(H,26,28)