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

Systemtic Name: 2-[4-(4-chloranylphenoxy)cyclohexa-2,4-dien-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[4-(4-chlorophenoxy)cyclohexa-2,4-dien-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[[4-(4-chlorophenoxy)-1-cyclohexa-2,4-dienyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[4-(4-chlorophenoxy)cyclohexa-2,4-dien-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[4-(4-chlorophenoxy)cyclohexa-2,4-dien-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H20ClNO5S MolecularWeight: 445.9159

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C=C(C=CC1S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClNO5S/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/h1-11,20-21H,12-14H2,(H,25,26)