2-[3-[cyano(phenylsulfonyl)methyl]quinoxalin-2-yl]oxybenzoic acid

Systemtic Name: 2-[3-[cyano(phenylsulfonyl)methyl]quinoxalin-2-yl]oxybenzoic acid Openeye Name: 2-[3-[benzenesulfonyl(cyano)methyl]quinoxalin-2-yl]oxybenzoic acid CAS Name: 2-[[3-[benzenesulfonyl(cyano)methyl]-2-quinoxalinyl]oxy]benzoic acid IUPAC Name: 2-[3-[benzenesulfonyl(cyano)methyl]quinoxalin-2-yl]oxybenzoic acid Traditional Name: 2-[3-[besyl(cyano)methyl]quinoxalin-2-yl]oxybenzoic acid Formula: C23H15N3O5S MolecularWeight: 445.4473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2OC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2OC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H15N3O5S/c24-14-20(32(29,30)15-8-2-1-3-9-15)21-22(26-18-12-6-5-11-17(18)25-21)31-19-13-7-4-10-16(19)23(27)28/h1-13,20H,(H,27,28)