5-nitro-1-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]indazole

Systemtic Name: 5-nitro-1-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]indazole Openeye Name: 5-nitro-1-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]indazole CAS Name: 5-nitro-1-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]indazole IUPAC Name: 5-nitro-1-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]indazole Traditional Name: 5-nitro-1-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]indazole Formula: C16H18N5O4S2+ MolecularWeight: 408.47522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H17N5O4S2/c22-21(23)14-3-4-15-13(10-14)11-17-20(15)12-18-5-7-19(8-6-18)27(24,25)16-2-1-9-26-16/h1-4,9-11H,5-8,12H2/p+1