2-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)C(=O)O

InChI

InChI=1S/C23H18N2O5S/c26-23(27)20-13-16-5-1-2-6-17(16)14-25(20)31(28,29)18-11-9-15(10-12-18)22-24-19-7-3-4-8-21(19)30-22/h1-12,20H,13-14H2,(H,26,27)