N1-(3-chloranyl-2-methyl-phenyl)-N3-(3,3-dimethylbutyl)-4-oxidanyl-benzene-1,3-disulfonamide

Systemtic Name: N1-(3-chloranyl-2-methyl-phenyl)-N3-(3,3-dimethylbutyl)-4-oxidanyl-benzene-1,3-disulfonamide Openeye Name: N1-(3-chloro-2-methyl-phenyl)-N3-(3,3-dimethylbutyl)-4-hydroxy-benzene-1,3-disulfonamide CAS Name: N1-(3-chloro-2-methylphenyl)-N3-(3,3-dimethylbutyl)-4-hydroxybenzene-1,3-disulfonamide IUPAC Name: 1-N-(3-chloro-2-methylphenyl)-3-N-(3,3-dimethylbutyl)-4-hydroxybenzene-1,3-disulfonamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-N'-(3,3-dimethylbutyl)-4-hydroxy-benzene-1,3-disulfonamide Formula: C19H25ClN2O5S2 MolecularWeight: 460.9952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)NCCC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)NCCC(C)(C)C

InChI

InChI=1S/C19H25ClN2O5S2/c1-13-15(20)6-5-7-16(13)22-28(24,25)14-8-9-17(23)18(12-14)29(26,27)21-11-10-19(2,3)4/h5-9,12,21-23H,10-11H2,1-4H3