N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate

Systemtic Name: N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate Openeye Name: N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate CAS Name: N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanimidate IUPAC Name: N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate Traditional Name: N-(5-nosylthiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetimidate Formula: C21H21N5O5S2 MolecularWeight: 487.55194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O5S2/c27-19(15-24-10-12-25(13-11-24)16-4-2-1-3-5-16)23-21-22-14-20(32-21)33(30,31)18-8-6-17(7-9-18)26(28)29/h1-9,14H,10-13,15H2,(H,22,23,27)