2-[2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]anilino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]anilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-[4-[(2S)-2-methylpiperidino]sulfonylanilino]ethyl]thio]nicotinic acid Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C20H23N3O5S2/c1-14-5-2-3-12-23(14)30(27,28)16-9-7-15(8-10-16)22-18(24)13-29-19-17(20(25)26)6-4-11-21-19/h4,6-11,14H,2-3,5,12-13H2,1H3,(H,22,24)(H,25,26)/t14-/m0/s1