methyl 2-[2-[(6-chloranylpyridin-3-yl)sulfonyl-(furan-2-ylmethyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(6-chloranylpyridin-3-yl)sulfonyl-(furan-2-ylmethyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(6-chloro-3-pyridyl)sulfonyl-(2-furylmethyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[(6-chloro-3-pyridinyl)sulfonyl-(2-furanylmethyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-chloropyridin-3-yl)sulfonyl-(furan-2-ylmethyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[(6-chloro-3-pyridyl)sulfonyl-(2-furfuryl)amino]acetyl]amino]benzoic acid methyl ester Formula: C20H18ClN3O6S MolecularWeight: 463.89142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN(CC2=CC=CO2)S(=O)(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN(CC2=CC=CO2)S(=O)(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O6S/c1-29-20(26)16-6-2-3-7-17(16)23-19(25)13-24(12-14-5-4-10-30-14)31(27,28)15-8-9-18(21)22-11-15/h2-11H,12-13H2,1H3,(H,23,25)