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

Systemtic Name: N-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-oxo-3-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-keto-3-[4-(2-thenyl)piperazin-4-ium-1-yl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H26N3O5S2+ MolecularWeight: 452.56754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H25N3O5S2/c24-20(23-9-7-22(8-10-23)15-16-2-1-13-29-16)5-6-21-30(25,26)17-3-4-18-19(14-17)28-12-11-27-18/h1-4,13-14,21H,5-12,15H2/p+1