N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C24H30N3O6S+ MolecularWeight: 488.5765

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCNS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CCNS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H29N3O6S/c28-24(5-7-25-34(29,30)20-2-4-22-23(16-20)33-14-13-32-22)27-10-8-26(9-11-27)17-18-1-3-21-19(15-18)6-12-31-21/h1-4,15-16,25H,5-14,17H2/p+1