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

Systemtic Name: [4-[[butan-2-yl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[3-methylbutanoyl(sec-butyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[butan-2-yl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[isovaleryl(sec-butyl)amino]methyl]phenyl] ester Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H32N2O5S/c1-6-18(4)26(24(28)15-17(2)3)16-20-7-11-22(12-8-20)31-32(29,30)23-13-9-21(10-14-23)25-19(5)27/h7-14,17-18H,6,15-16H2,1-5H3,(H,25,27)