(3S)-6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-6,7-dimethoxy-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-6,7-dimethoxy-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H21NO6S MolecularWeight: 391.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC(=C(C=C3C[C@H]2C(=O)O)OC)OC

InChI

InChI=1S/C19H21NO6S/c1-12-4-6-15(7-5-12)27(23,24)20-11-14-10-18(26-3)17(25-2)9-13(14)8-16(20)19(21)22/h4-7,9-10,16H,8,11H2,1-3H3,(H,21,22)/t16-/m0/s1