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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C(=NO)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2/C(=N/O)/N

InChI

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