1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,5-dimethylphenyl)methylsulfonyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5-dimethylbenzyl)sulfonyl-ethanone Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CS(=O)(=O)CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)CS(=O)(=O)CC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H23NO3S/c1-15-7-8-16(2)19(11-15)13-25(23,24)14-20(22)21-10-9-17-5-3-4-6-18(17)12-21/h3-8,11H,9-10,12-14H2,1-2H3