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

Systemtic Name: 2-chloranyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: 2-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 2-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: 2-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 2-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-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)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H26ClN3O5S/c1-2-25-9-11-26(12-10-25)32(28,29)17-7-8-19(23)18(13-17)22(27)24-14-16-15-30-20-5-3-4-6-21(20)31-16/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,24,27)/p+1/t16-/m0/s1