N-[4-[(1-adamantylcarbonylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[4-[(1-adamantylcarbonylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-[[[1-adamantyl(oxo)methyl]hydrazo]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29N3O6S/c30-24(27-28-25(31)26-13-16-9-17(14-26)11-18(10-16)15-26)19-1-3-20(4-2-19)29-36(32,33)21-5-6-22-23(12-21)35-8-7-34-22/h1-6,12,16-18,29H,7-11,13-15H2,(H,27,30)(H,28,31)