2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C22H27ClN3O5S+ MolecularWeight: 480.98488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C22H26ClN3O5S/c1-2-25-7-9-26(10-8-25)32(28,29)18-5-3-17(4-6-18)24-21(27)15-16-13-19(23)22-20(14-16)30-11-12-31-22/h3-6,13-14H,2,7-12,15H2,1H3,(H,24,27)/p+1