4-(phenylsulfinyl)-2-(quinolin-2-ylcarbonylamino)butanoic acid

Systemtic Name: 4-(phenylsulfinyl)-2-(quinolin-2-ylcarbonylamino)butanoic acid Openeye Name: 4-(benzenesulfinyl)-2-(quinoline-2-carbonylamino)butanoic acid CAS Name: 4-(benzenesulfinyl)-2-[[oxo(2-quinolinyl)methyl]amino]butanoic acid IUPAC Name: 4-(benzenesulfinyl)-2-(quinoline-2-carbonylamino)butanoic acid Traditional Name: 4-(benzenesulfinyl)-2-(quinaldoylamino)butyric acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)CCC(C(=O)O)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)CCC(C(=O)O)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H18N2O4S/c23-19(17-11-10-14-6-4-5-9-16(14)21-17)22-18(20(24)25)12-13-27(26)15-7-2-1-3-8-15/h1-11,18H,12-13H2,(H,22,23)(H,24,25)