(3R)-6,7-bis(oxidanyl)-2-(4-pyrazin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-6,7-bis(oxidanyl)-2-(4-pyrazin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-6,7-dihydroxy-2-(4-pyrazin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-6,7-dihydroxy-2-[4-(2-pyrazinyloxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-6,7-dihydroxy-2-(4-pyrazin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-6,7-dihydroxy-2-(4-pyrazin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H](N(CC2=CC(=C(C=C21)O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=NC=CN=C4)C(=O)O

InChI

InChI=1S/C20H17N3O7S/c24-17-8-12-7-16(20(26)27)23(11-13(12)9-18(17)25)31(28,29)15-3-1-14(2-4-15)30-19-10-21-5-6-22-19/h1-6,8-10,16,24-25H,7,11H2,(H,26,27)/t16-/m1/s1