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

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-thiophen-2-ylethylideneamino]ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-(2-thienyl)ethylideneamino]acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-[(E)-1-(2-thienyl)ethylideneamino]acetamide Formula: C18H22BrN4O3S2+ MolecularWeight: 486.42628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CS3

Isomeric SMILES

C/C(=N\NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br)/C3=CC=CS3

InChI

InChI=1S/C18H21BrN4O3S2/c1-14(17-3-2-12-27-17)20-21-18(24)13-22-8-10-23(11-9-22)28(25,26)16-6-4-15(19)5-7-16/h2-7,12H,8-11,13H2,1H3,(H,21,24)/p+1/b20-14+