6-methoxy-1-methylsulfonyl-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 6-methoxy-1-methylsulfonyl-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 6-methoxy-1-methylsulfonyl-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 6-methoxy-1-methylsulfonyl-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 6-methoxy-1-methylsulfonyl-4-phenylisoquinoline-3-carbonitrile Traditional Name: 1-mesyl-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC=CC=C3)C#N)S(=O)(=O)C

InChI

InChI=1S/C18H14N2O3S/c1-23-13-8-9-14-15(10-13)17(12-6-4-3-5-7-12)16(11-19)20-18(14)24(2,21)22/h3-10H,1-2H3