(3R)-2-(4-methoxyphenyl)sulfonyl-N'-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboximidamide

Systemtic Name: (3R)-2-(4-methoxyphenyl)sulfonyl-N'-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboximidamide Openeye Name: (3R)-N'-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamidine CAS Name: (3R)-N'-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboximidamide IUPAC Name: (3R)-N'-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboximidamide Traditional Name: (3R)-N'-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamidine Formula: C17H19N3O4S MolecularWeight: 361.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=NO)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@@H]2/C(=N\O)/N

InChI

InChI=1S/C17H19N3O4S/c1-24-14-6-8-15(9-7-14)25(22,23)20-11-13-5-3-2-4-12(13)10-16(20)17(18)19-21/h2-9,16,21H,10-11H2,1H3,(H2,18,19)/t16-/m1/s1