3-methyl-2-(phenylsulfonyl)-1H-isoquinoline-1-carbonitrile

Systemtic Name: 3-methyl-2-(phenylsulfonyl)-1H-isoquinoline-1-carbonitrile Openeye Name: 2-(benzenesulfonyl)-3-methyl-1H-isoquinoline-1-carbonitrile CAS Name: 2-(benzenesulfonyl)-3-methyl-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-(benzenesulfonyl)-3-methyl-1H-isoquinoline-1-carbonitrile Traditional Name: 2-besyl-3-methyl-1H-isoquinoline-1-carbonitrile Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(N1S(=O)(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC2=CC=CC=C2C(N1S(=O)(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H14N2O2S/c1-13-11-14-7-5-6-10-16(14)17(12-18)19(13)22(20,21)15-8-3-2-4-9-15/h2-11,17H,1H3