(3R)-7-azanyl-N-oxidanyl-2-(4-pyrimidin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-7-azanyl-N-oxidanyl-2-(4-pyrimidin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-7-amino-2-(4-pyrimidin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: (3R)-7-amino-N-hydroxy-2-[4-(2-pyrimidinyloxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-7-amino-N-hydroxy-2-(4-pyrimidin-2-yloxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-7-amino-2-[4-(2-pyrimidyloxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C20H19N5O5S MolecularWeight: 441.46036

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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)NO

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)NO

InChI

InChI=1S/C20H19N5O5S/c21-15-3-2-13-11-18(19(26)24-27)25(12-14(13)10-15)31(28,29)17-6-4-16(5-7-17)30-20-22-8-1-9-23-20/h1-10,18,27H,11-12,21H2,(H,24,26)/t18-/m1/s1