[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-indolin-1-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-indolin-1-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C24H25N4O3S+ MolecularWeight: 449.5453

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H24N4O3S/c29-24(27-16-14-26(15-17-27)23-10-3-4-12-25-23)20-7-5-8-21(18-20)32(30,31)28-13-11-19-6-1-2-9-22(19)28/h1-10,12,18H,11,13-17H2/p+1