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

Systemtic Name: 2-[[(2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[(2S)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[(2S)-1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[(2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[(2S)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C19H25N4O4S3+ MolecularWeight: 469.6212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H24N4O4S3/c1-12(18(25)21-19-16(17(20)24)13-4-2-5-14(13)29-19)22-7-9-23(10-8-22)30(26,27)15-6-3-11-28-15/h3,6,11-12H,2,4-5,7-10H2,1H3,(H2,20,24)(H,21,25)/p+1/t12-/m0/s1