N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H30N3O5S+ MolecularWeight: 448.5557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H29N3O5S/c1-24-9-11-25(12-10-24)20(17-3-5-18(28-2)6-4-17)16-23-31(26,27)19-7-8-21-22(15-19)30-14-13-29-21/h3-8,15,20,23H,9-14,16H2,1-2H3/p+1/t20-/m0/s1