2-[[(2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2S)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2S)-1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2S)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Formula: C16H21N4O4S3+ MolecularWeight: 429.55734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H20N4O4S3/c1-11(15(22)18-16-12(14(17)21)4-10-26-16)19-5-7-20(8-6-19)27(23,24)13-3-2-9-25-13/h2-4,9-11H,5-8H2,1H3,(H2,17,21)(H,18,22)/p+1/t11-/m0/s1