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

Systemtic Name: 2-[4-(4-chloranylphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-(4-chlorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[4-(4-chlorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-(4-chlorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-(4-chlorophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H18ClNO5S MolecularWeight: 443.90002

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H18ClNO5S/c23-17-5-7-18(8-6-17)29-19-9-11-20(12-10-19)30(27,28)24-14-16-4-2-1-3-15(16)13-21(24)22(25)26/h1-12,21H,13-14H2,(H,25,26)