3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Openeye Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Traditional Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C21H27N6O3S+ MolecularWeight: 443.54248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H26N6O3S/c1-15(2)27-20-17(13-23-27)11-18(14-22-20)24-21(28)16-5-4-6-19(12-16)31(29,30)26-9-7-25(3)8-10-26/h4-6,11-15H,7-10H2,1-3H3,(H,24,28)/p+1