[4-chloranyl-2-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[isobutyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(3-methyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[3-methylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[isobutyl(isovaleryl)amino]methyl]phenyl] ester Formula: C24H31ClN2O5S MolecularWeight: 495.03134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN2O5S/c1-16(2)12-24(29)27(14-17(3)4)15-19-13-20(25)6-11-23(19)32-33(30,31)22-9-7-21(8-10-22)26-18(5)28/h6-11,13,16-17H,12,14-15H2,1-5H3,(H,26,28)