N4-cyclohexyl-N1-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzene-1,4-disulfonamide

Systemtic Name: N4-cyclohexyl-N1-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N4-cyclohexyl-N1-(isochroman-1-ylmethyl)benzene-1,4-disulfonamide CAS Name: N4-cyclohexyl-N1-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-cyclohexyl-1-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N'-cyclohexyl-N-(isochroman-1-ylmethyl)benzene-1,4-disulfonamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C22H28N2O5S2/c25-30(26,23-16-22-21-9-5-4-6-17(21)14-15-29-22)19-10-12-20(13-11-19)31(27,28)24-18-7-2-1-3-8-18/h4-6,9-13,18,22-24H,1-3,7-8,14-16H2