5-methoxy-1-(phenylsulfonyl)-2H-isoquinoline-1-carbonitrile

Systemtic Name: 5-methoxy-1-(phenylsulfonyl)-2H-isoquinoline-1-carbonitrile Openeye Name: 1-(benzenesulfonyl)-5-methoxy-2H-isoquinoline-1-carbonitrile CAS Name: 1-(benzenesulfonyl)-5-methoxy-2H-isoquinoline-1-carbonitrile IUPAC Name: 1-(benzenesulfonyl)-5-methoxy-2H-isoquinoline-1-carbonitrile Traditional Name: 1-besyl-5-methoxy-2H-isoquinoline-1-carbonitrile Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=CNC2(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC2=C1C=CNC2(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O3S/c1-22-16-9-5-8-15-14(16)10-11-19-17(15,12-18)23(20,21)13-6-3-2-4-7-13/h2-11,19H,1H3