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

Systemtic Name: [4-chloranyl-2-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-dimethylaminoethyl(isovaleryl)amino]methyl]phenyl] ester Formula: C24H32ClN3O5S MolecularWeight: 510.04598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32ClN3O5S/c1-17(2)14-24(30)28(13-12-27(4)5)16-19-15-20(25)6-11-23(19)33-34(31,32)22-9-7-21(8-10-22)26-18(3)29/h6-11,15,17H,12-14,16H2,1-5H3,(H,26,29)