(2S)-2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydroindole-5-sulfonamide

Systemtic Name: (2S)-2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-2,3-dihydroindole-5-sulfonamide Openeye Name: (2S)-2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]indoline-5-sulfonamide CAS Name: (2S)-2-methyl-1-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-2,3-dihydroindole-5-sulfonamide IUPAC Name: (2S)-2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide Traditional Name: (2S)-2-methyl-1-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]indoline-5-sulfonamide Formula: C19H25N6O3S+ MolecularWeight: 417.5052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C=CC(=C2)S(=O)(=O)N

Isomeric SMILES

C[C@H]1CC2=C(N1C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C=CC(=C2)S(=O)(=O)N

InChI

InChI=1S/C19H24N6O3S/c1-14-11-15-12-16(29(20,27)28)3-4-17(15)25(14)18(26)13-23-7-9-24(10-8-23)19-21-5-2-6-22-19/h2-6,12,14H,7-11,13H2,1H3,(H2,20,27,28)/p+1/t14-/m0/s1