2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-2-thienylmethyleneamino]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-[(E)-2-thenylideneamino]acetamide Formula: C17H20BrN4O3S2+ MolecularWeight: 472.3997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NN=CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N/N=C/C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H19BrN4O3S2/c18-14-3-5-16(6-4-14)27(24,25)22-9-7-21(8-10-22)13-17(23)20-19-12-15-2-1-11-26-15/h1-6,11-12H,7-10,13H2,(H,20,23)/p+1/b19-12+