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

Systemtic Name: [4-chloranyl-2-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-methoxyethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[isovaleryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H29ClN2O6S MolecularWeight: 497.00416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O6S/c1-16(2)13-23(28)26(11-12-31-4)15-18-14-19(24)5-10-22(18)32-33(29,30)21-8-6-20(7-9-21)25-17(3)27/h5-10,14,16H,11-13,15H2,1-4H3,(H,25,27)