4-[1-[methanoyl(oxidanyl)amino]-2-(quinolin-3-ylmethylsulfonyl)ethyl]benzoic acid

Systemtic Name: 4-[1-[methanoyl(oxidanyl)amino]-2-(quinolin-3-ylmethylsulfonyl)ethyl]benzoic acid Openeye Name: 4-[1-[formyl(hydroxy)amino]-2-(3-quinolylmethylsulfonyl)ethyl]benzoic acid CAS Name: 4-[1-[formyl(hydroxy)amino]-2-(3-quinolinylmethylsulfonyl)ethyl]benzoic acid IUPAC Name: 4-[1-[formyl(hydroxy)amino]-2-(quinolin-3-ylmethylsulfonyl)ethyl]benzoic acid Traditional Name: 4-[1-[formyl(hydroxy)amino]-2-(3-quinolylmethylsulfonyl)ethyl]benzoic acid Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)CS(=O)(=O)CC(C3=CC=C(C=C3)C(=O)O)N(C=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)CS(=O)(=O)CC(C3=CC=C(C=C3)C(=O)O)N(C=O)O

InChI

InChI=1S/C20H18N2O6S/c23-13-22(26)19(15-5-7-16(8-6-15)20(24)25)12-29(27,28)11-14-9-17-3-1-2-4-18(17)21-10-14/h1-10,13,19,26H,11-12H2,(H,24,25)