[4,5-dimethyl-2-(phenylsulfonylamino)phenyl] benzenesulfonate

Systemtic Name: [4,5-dimethyl-2-(phenylsulfonylamino)phenyl] benzenesulfonate Openeye Name: [2-(benzenesulfonamido)-4,5-dimethyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(benzenesulfonamido)-4,5-dimethylphenyl] ester IUPAC Name: [2-(benzenesulfonamido)-4,5-dimethylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(benzenesulfonamido)-4,5-dimethyl-phenyl] ester Formula: C20H19NO5S2 MolecularWeight: 417.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OS(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C)OS(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO5S2/c1-15-13-19(21-27(22,23)17-9-5-3-6-10-17)20(14-16(15)2)26-28(24,25)18-11-7-4-8-12-18/h3-14,21H,1-2H3