1-[(5-chloranylthiophen-2-yl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-4-nosyl-piperazin-1-ium Formula: C15H17ClN3O4S2+ MolecularWeight: 402.89618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClN3O4S2/c16-15-6-3-13(24-15)11-17-7-9-18(10-8-17)25(22,23)14-4-1-12(2-5-14)19(20)21/h1-6H,7-11H2/p+1