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

Systemtic Name: 2-[2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(4-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C21H24N5O4S2+ MolecularWeight: 474.57636

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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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S2/c22-12-14-4-6-15(7-5-14)32(29,30)26-10-8-25(9-11-26)13-18(27)24-21-19(20(23)28)16-2-1-3-17(16)31-21/h4-7H,1-3,8-11,13H2,(H2,23,28)(H,24,27)/p+1