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

Systemtic Name: [4-chloranyl-2-[[2-methoxyethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(2-methoxy-1-oxoethyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[(2-methoxyacetyl)-(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C22H27ClN2O6S MolecularWeight: 482.97758

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O6S/c1-15(2)12-25(22(27)14-30-4)13-17-11-18(23)5-10-21(17)31-32(28,29)20-8-6-19(7-9-20)24-16(3)26/h5-11,15H,12-14H2,1-4H3,(H,24,26)