2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile CAS Name: 2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile Traditional Name: 2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C3C2C#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C3C2C#N

InChI

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