2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-besylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxamide Formula: C17H21N4O4S2+ MolecularWeight: 409.50304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O4S2/c18-16(23)14-6-11-26-17(14)19-15(22)12-20-7-9-21(10-8-20)27(24,25)13-4-2-1-3-5-13/h1-6,11H,7-10,12H2,(H2,18,23)(H,19,22)/p+1