3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Formula: C23H28N3O5S+ MolecularWeight: 458.55052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

InChI

InChI=1S/C23H27N3O5S/c1-25-11-13-26(14-12-25)32(28,29)19-6-4-5-17(15-19)22(27)24-18-7-8-20-21(16-18)31-23(30-20)9-2-3-10-23/h4-8,15-16H,2-3,9-14H2,1H3,(H,24,27)/p+1