N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanimidate

Systemtic Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanimidate Openeye Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanimidate CAS Name: N-[4-(3-nitrophenyl)-2-thiazolyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanimidate IUPAC Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanimidate Traditional Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetimidate Formula: C19H19N5O5S3 MolecularWeight: 493.57966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-])S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H19N5O5S3/c25-17(12-22-6-8-23(9-7-22)32(28,29)18-5-2-10-30-18)21-19-20-16(13-31-19)14-3-1-4-15(11-14)24(26)27/h1-5,10-11,13H,6-9,12H2,(H,20,21,25)