3,6-dimethyl-2-(phenylsulfonyl)-4-(phenylsulfonylamino)phenolate

Systemtic Name: 3,6-dimethyl-2-(phenylsulfonyl)-4-(phenylsulfonylamino)phenolate Openeye Name: 4-(benzenesulfonamido)-2-(benzenesulfonyl)-3,6-dimethyl-phenolate CAS Name: 4-(benzenesulfonamido)-2-(benzenesulfonyl)-3,6-dimethylphenolate IUPAC Name: 4-(benzenesulfonamido)-2-(benzenesulfonyl)-3,6-dimethylphenolate Traditional Name: 4-(benzenesulfonamido)-2-besyl-3,6-dimethyl-phenolate Formula: C20H18NO5S2- MolecularWeight: 416.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1[O-])S(=O)(=O)C2=CC=CC=C2)C)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=C1[O-])S(=O)(=O)C2=CC=CC=C2)C)NS(=O)(=O)C3=CC=CC=C3

InChI

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