N-(1-adamantyl)-5-(4-methylpiperazin-1-yl)carbonyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide hydrochloride

Systemtic Name: N-(1-adamantyl)-5-(4-methylpiperazin-1-yl)carbonyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide hydrochloride Openeye Name: N-(1-adamantyl)-5-(4-methylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide hydrochloride CAS Name: N-(1-adamantyl)-5-[(4-methyl-1-piperazinyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-7-sulfonamide hydrochloride IUPAC Name: N-(1-adamantyl)-5-(4-methylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide hydrochloride Traditional Name: N-(1-adamantyl)-5-(4-methylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzodioxin-7-sulfonamide hydrochloride Formula: C24H34ClN3O5S MolecularWeight: 512.06186

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=CC3=C2OCCO3)S(=O)(=O)NC45CC6CC(C4)CC(C6)C5.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=CC3=C2OCCO3)S(=O)(=O)NC45CC6CC(C4)CC(C6)C5.Cl

InChI

InChI=1S/C24H33N3O5S.ClH/c1-26-2-4-27(5-3-26)23(28)20-11-19(12-21-22(20)32-7-6-31-21)33(29,30)25-24-13-16-8-17(14-24)10-18(9-16)15-24;/h11-12,16-18,25H,2-10,13-15H2,1H3;1H