2-methyl-3-methylsulfonyl-1-oxidanylidene-isoquinoline-4-carbaldehyde

Systemtic Name: 2-methyl-3-methylsulfonyl-1-oxidanylidene-isoquinoline-4-carbaldehyde Openeye Name: 2-methyl-3-methylsulfonyl-1-oxo-isoquinoline-4-carbaldehyde CAS Name: 2-methyl-3-methylsulfonyl-1-oxo-4-isoquinolinecarboxaldehyde IUPAC Name: 2-methyl-3-methylsulfonyl-1-oxoisoquinoline-4-carbaldehyde Traditional Name: 1-keto-3-mesyl-2-methyl-isoquinoline-4-carbaldehyde Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C=O)S(=O)(=O)C

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C=O)S(=O)(=O)C

InChI

InChI=1S/C12H11NO4S/c1-13-11(15)9-6-4-3-5-8(9)10(7-14)12(13)18(2,16)17/h3-7H,1-2H3