4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole

Systemtic Name: 4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Openeye Name: 4-[(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-2-(4-methylpiperazin-4-ium-1-yl)thiazole CAS Name: 4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(4-methyl-1-piperazin-4-iumyl)thiazole IUPAC Name: 4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Traditional Name: 4-[(2S)-1-mesyl-2-methyl-indolin-5-yl]-2-(4-methylpiperazin-4-ium-1-yl)thiazole Formula: C18H25N4O2S2+ MolecularWeight: 393.5467

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C3=CSC(=N3)N4CC[NH+](CC4)C

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C3=CSC(=N3)N4CC[NH+](CC4)C

InChI

InChI=1S/C18H24N4O2S2/c1-13-10-15-11-14(4-5-17(15)22(13)26(3,23)24)16-12-25-18(19-16)21-8-6-20(2)7-9-21/h4-5,11-13H,6-10H2,1-3H3/p+1/t13-/m0/s1