2-chloranyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: 2-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 2-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: 2-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 2-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C23H29ClN3O5S+ MolecularWeight: 495.01146

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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)OCCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28ClN3O5S/c1-2-26-9-11-27(12-10-26)33(29,30)18-4-5-20(24)19(16-18)23(28)25-8-7-17-3-6-21-22(15-17)32-14-13-31-21/h3-6,15-16H,2,7-14H2,1H3,(H,25,28)/p+1