methyl 4-[[2-(phenylmethyl)sulfinylpyridin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(phenylmethyl)sulfinylpyridin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[(2-benzylsulfinylpyridine-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[2-(phenylmethyl)sulfinyl-3-pyridinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-benzylsulfinylpyridine-3-carbonyl)amino]benzoate Traditional Name: 4-[(2-benzylsulfinylnicotinoyl)amino]benzoic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)S(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)S(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4S/c1-27-21(25)16-9-11-17(12-10-16)23-19(24)18-8-5-13-22-20(18)28(26)14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,24)