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

Systemtic Name: N1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N4-ethyl-N4-(phenylmethyl)benzene-1,4-disulfonamide Openeye Name: N4-benzyl-N4-ethyl-N1-(isochroman-1-ylmethyl)benzene-1,4-disulfonamide CAS Name: N1-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-N4-ethyl-N4-(phenylmethyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-benzyl-1-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-N-ethylbenzene-1,4-disulfonamide Traditional Name: N'-benzyl-N'-ethyl-N-(isochroman-1-ylmethyl)benzene-1,4-disulfonamide Formula: C25H28N2O5S2 MolecularWeight: 500.63022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C25H28N2O5S2/c1-2-27(19-20-8-4-3-5-9-20)34(30,31)23-14-12-22(13-15-23)33(28,29)26-18-25-24-11-7-6-10-21(24)16-17-32-25/h3-15,25-26H,2,16-19H2,1H3