N-[4-(1-adamantyl)phenyl]sulfonyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]sulfonyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-(1-adamantyl)phenyl]sulfonyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-(1-adamantyl)phenyl]sulfonyl-N-methyl-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-(1-adamantyl)phenyl]sulfonyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-(1-adamantyl)phenyl]sulfonyl-N-methyl-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C25H29NO6S2 MolecularWeight: 503.63086

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Descriptors Computed from Structure

Canonical SMILES:

CN(S(=O)(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

CN(S(=O)(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C25H29NO6S2/c1-26(34(29,30)22-6-7-23-24(13-22)32-9-8-31-23)33(27,28)21-4-2-20(3-5-21)25-14-17-10-18(15-25)12-19(11-17)16-25/h2-7,13,17-19H,8-12,14-16H2,1H3