2,2-dimethyl-1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-(2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-one Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C(=O)C(C)(C)C

InChI

InChI=1S/C21H25NO3S/c1-15-9-11-17(12-10-15)26(24,25)22-14-13-16-7-5-6-8-18(16)19(22)20(23)21(2,3)4/h5-12,19H,13-14H2,1-4H3