2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C17H18N3O4S2+ MolecularWeight: 392.47252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H17N3O4S2/c21-16-13-4-1-2-5-14(13)17(22)20(16)12-18-7-9-19(10-8-18)26(23,24)15-6-3-11-25-15/h1-6,11H,7-10,12H2/p+1