(3S)-1-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: (3S)-1-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: (3S)-1-[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: (3S)-1-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: (3S)-1-[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: (3S)-1-[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C28H28N2O7S MolecularWeight: 536.59612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)C4C5=CC=CC=C5CC(N4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)C4C5=CC=CC=C5C[C@H](N4)C(=O)O)OC

InChI

InChI=1S/C28H28N2O7S/c1-36-24-12-11-20(15-25(24)37-2)38(34,35)30-16-19-9-4-3-7-17(19)14-23(30)27(31)26-21-10-6-5-8-18(21)13-22(29-26)28(32)33/h3-12,15,22-23,26,29H,13-14,16H2,1-2H3,(H,32,33)/t22-,23?,26?/m0/s1