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

Systemtic Name: 2-[[(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2S)-2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Formula: C19H22N5O4S2+ MolecularWeight: 448.53908

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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=CC=C3C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H21N5O4S2/c1-13(18(26)22-19-15(17(21)25)6-11-29-19)23-7-9-24(10-8-23)30(27,28)16-5-3-2-4-14(16)12-20/h2-6,11,13H,7-10H2,1H3,(H2,21,25)(H,22,26)/p+1/t13-/m0/s1