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

Systemtic Name: [4-chloranyl-2-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(3,3-dimethyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]phenyl] ester Formula: C25H33ClN2O5S MolecularWeight: 509.05792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN2O5S/c1-17(2)15-28(24(30)14-25(4,5)6)16-19-13-20(26)7-12-23(19)33-34(31,32)22-10-8-21(9-11-22)27-18(3)29/h7-13,17H,14-16H2,1-6H3,(H,27,29)