N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-homopiperonyl-benzamide Formula: C22H27ClN3O5S+ MolecularWeight: 480.98488

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

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