1-[[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]isatin Formula: C22H27N5O5S+2 MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H25N5O5S/c28-21-18-3-1-2-4-19(18)27(22(21)29)16-24-7-9-25(10-8-24)20-6-5-17(15-23-20)33(30,31)26-11-13-32-14-12-26/h1-6,15H,7-14,16H2/p+2