3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C16H18N5O3S2+ MolecularWeight: 392.47582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H17N5O3S2/c22-16-13-4-1-2-5-14(13)17-18-21(16)12-19-7-9-20(10-8-19)26(23,24)15-6-3-11-25-15/h1-6,11H,7-10,12H2/p+1