(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-methylsulfonylphenyl)ethanone

Systemtic Name: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-methylsulfonylphenyl)ethanone Openeye Name: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-methylsulfonylphenyl)ethanone CAS Name: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-methylsulfonylphenyl)ethanone Traditional Name: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-mesylphenyl)ethanone Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=CC(=O)C3=CC=C(C=C3)S(=O)(=O)C)N1)C

Isomeric SMILES

CC1(CC2=CC=CC=C2/C(=C/C(=O)C3=CC=C(C=C3)S(=O)(=O)C)/N1)C

InChI

InChI=1S/C20H21NO3S/c1-20(2)13-15-6-4-5-7-17(15)18(21-20)12-19(22)14-8-10-16(11-9-14)25(3,23)24/h4-12,21H,13H2,1-3H3/b18-12-