(3R)-7-azanyl-2-(4-pyrimidin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-7-azanyl-2-(4-pyrimidin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-7-amino-2-(4-pyrimidin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-7-amino-2-[4-(2-pyrimidinyloxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-7-amino-2-(4-pyrimidin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-7-amino-2-[4-(2-pyrimidyloxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)N)S(=O)(=O)C3=CC=C(C=C3)OC4=NC=CC=N4)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=C1C=CC(=C2)N)S(=O)(=O)C3=CC=C(C=C3)OC4=NC=CC=N4)C(=O)O

InChI

InChI=1S/C20H18N4O5S/c21-15-3-2-13-11-18(19(25)26)24(12-14(13)10-15)30(27,28)17-6-4-16(5-7-17)29-20-22-8-1-9-23-20/h1-10,18H,11-12,21H2,(H,25,26)/t18-/m1/s1