2-[2-[[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-[[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-[4-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]anilino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-[4-[[(2S)-2-ethyl-1-piperidinyl]sulfonyl]anilino]-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-[4-[(2S)-2-ethylpiperidino]sulfonylanilino]-2-keto-ethyl]thio]nicotinate Formula: C21H24N3O5S2- MolecularWeight: 462.56236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c1-2-16-6-3-4-13-24(16)31(28,29)17-10-8-15(9-11-17)23-19(25)14-30-20-18(21(26)27)7-5-12-22-20/h5,7-12,16H,2-4,6,13-14H2,1H3,(H,23,25)(H,26,27)/p-1/t16-/m0/s1