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

Systemtic Name: [4-chloranyl-2-[[2-methoxyethanoyl(propan-2-yl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[isopropyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[(2-methoxyacetyl)-propan-2-ylamino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[isopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O6S/c1-14(2)24(21(26)13-29-4)12-16-11-17(22)5-10-20(16)30-31(27,28)19-8-6-18(7-9-19)23-15(3)25/h5-11,14H,12-13H2,1-4H3,(H,23,25)