N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxamide

Systemtic Name: N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxamide Openeye Name: N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxamide CAS Name: N-phenyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide Traditional Name: N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-thiophene-2-carboxamide Formula: C20H21N4O3S2+ MolecularWeight: 429.53574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CSC(=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CSC(=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S2/c25-20(22-16-6-2-1-3-7-16)18-14-17(15-28-18)29(26,27)24-12-10-23(11-13-24)19-8-4-5-9-21-19/h1-9,14-15H,10-13H2,(H,22,25)/p+1