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

Systemtic Name: [4-chloranyl-2-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(3,3-dimethyl-1-oxobutyl)-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C24H31ClN2O6S MolecularWeight: 511.03074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CCOC)C(=O)CC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(CCOC)C(=O)CC(C)(C)C

InChI

InChI=1S/C24H31ClN2O6S/c1-17(28)26-20-7-9-21(10-8-20)34(30,31)33-22-11-6-19(25)14-18(22)16-27(12-13-32-5)23(29)15-24(2,3)4/h6-11,14H,12-13,15-16H2,1-5H3,(H,26,28)