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

Systemtic Name: 2-[2-[4-(4-chlorophenyl)phenyl]ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[4-(4-chlorophenyl)phenyl]ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[4-(4-chlorophenyl)phenyl]ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[4-(4-chlorophenyl)phenyl]ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[4-(4-chlorophenyl)phenyl]ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H22ClNO4S MolecularWeight: 455.95378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)CCC3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)CCC3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C24H22ClNO4S/c25-22-11-9-19(10-12-22)18-7-5-17(6-8-18)13-14-31(29,30)26-16-21-4-2-1-3-20(21)15-23(26)24(27)28/h1-12,23H,13-16H2,(H,27,28)