N1-(3-chloranyl-2-methyl-phenyl)-4-oxidanyl-N3-(3,3,5-trimethylcyclohexyl)benzene-1,3-disulfonamide

Systemtic Name: N1-(3-chloranyl-2-methyl-phenyl)-4-oxidanyl-N3-(3,3,5-trimethylcyclohexyl)benzene-1,3-disulfonamide Openeye Name: N1-(3-chloro-2-methyl-phenyl)-4-hydroxy-N3-(3,3,5-trimethylcyclohexyl)benzene-1,3-disulfonamide CAS Name: N1-(3-chloro-2-methylphenyl)-4-hydroxy-N3-(3,3,5-trimethylcyclohexyl)benzene-1,3-disulfonamide IUPAC Name: 1-N-(3-chloro-2-methylphenyl)-4-hydroxy-3-N-(3,3,5-trimethylcyclohexyl)benzene-1,3-disulfonamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-hydroxy-N'-(3,3,5-trimethylcyclohexyl)benzene-1,3-disulfonamide Formula: C22H29ClN2O5S2 MolecularWeight: 501.05906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C(=CC=C3)Cl)C)O

Isomeric SMILES

CC1CC(CC(C1)(C)C)NS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C(=CC=C3)Cl)C)O

InChI

InChI=1S/C22H29ClN2O5S2/c1-14-10-16(13-22(3,4)12-14)24-32(29,30)21-11-17(8-9-20(21)26)31(27,28)25-19-7-5-6-18(23)15(19)2/h5-9,11,14,16,24-26H,10,12-13H2,1-4H3