5-[1-[methanoyl(oxidanyl)amino]-2-(quinolin-3-ylmethylsulfonyl)ethyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[1-[methanoyl(oxidanyl)amino]-2-(quinolin-3-ylmethylsulfonyl)ethyl]-2-methoxy-benzoic acid Openeye Name: 5-[1-[formyl(hydroxy)amino]-2-(3-quinolylmethylsulfonyl)ethyl]-2-methoxy-benzoic acid CAS Name: 5-[1-[formyl(hydroxy)amino]-2-(3-quinolinylmethylsulfonyl)ethyl]-2-methoxybenzoic acid IUPAC Name: 5-[1-[formyl(hydroxy)amino]-2-(quinolin-3-ylmethylsulfonyl)ethyl]-2-methoxybenzoic acid Traditional Name: 5-[1-[formyl(hydroxy)amino]-2-(3-quinolylmethylsulfonyl)ethyl]-2-methoxy-benzoic acid Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CS(=O)(=O)CC2=CC3=CC=CC=C3N=C2)N(C=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(CS(=O)(=O)CC2=CC3=CC=CC=C3N=C2)N(C=O)O)C(=O)O

InChI

InChI=1S/C21H20N2O7S/c1-30-20-7-6-16(9-17(20)21(25)26)19(23(27)13-24)12-31(28,29)11-14-8-15-4-2-3-5-18(15)22-10-14/h2-10,13,19,27H,11-12H2,1H3,(H,25,26)