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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Cl

InChI

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