N-cyclopropyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H29N4O6S+ MolecularWeight: 453.53246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H28N4O6S/c25-19(22-15-1-2-15)14-23-7-9-24(10-8-23)20(26)5-6-21-31(27,28)16-3-4-17-18(13-16)30-12-11-29-17/h3-4,13,15,21H,1-2,5-12,14H2,(H,22,25)/p+1