2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C18H23N4O4S3+ MolecularWeight: 455.59462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H22N4O4S3/c19-17(24)16-12-3-1-4-13(12)28-18(16)20-14(23)11-21-6-8-22(9-7-21)29(25,26)15-5-2-10-27-15/h2,5,10H,1,3-4,6-9,11H2,(H2,19,24)(H,20,23)/p+1