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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C20H23N3O5S2/c1-14-4-3-11-23(12-14)30(27,28)16-8-6-15(7-9-16)22-18(24)13-29-19-17(20(25)26)5-2-10-21-19/h2,5-10,14H,3-4,11-13H2,1H3,(H,22,24)(H,25,26)