5-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one

Systemtic Name: 5-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Openeye Name: 5-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylindolin-2-one CAS Name: 5-[[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]-1,3-dihydroindol-2-one IUPAC Name: 5-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Traditional Name: 5-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonyloxindole Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4

InChI

InChI=1S/C20H24N4O4S/c1-13-9-17(14(2)21-13)19(25)12-23-5-7-24(8-6-23)29(27,28)16-3-4-18-15(10-16)11-20(26)22-18/h3-4,9-10,21H,5-8,11-12H2,1-2H3,(H,22,26)/p+1