3,3-dimethyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide

Systemtic Name: 3,3-dimethyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide Openeye Name: 3,3-dimethyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butanamide CAS Name: 3,3-dimethyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide IUPAC Name: 3,3-dimethyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide Traditional Name: 3,3-dimethyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)butyramide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C22H28N2O3S/c1-16-5-9-20(10-6-16)28(26,27)24-12-11-17-7-8-19(13-18(17)15-24)23-21(25)14-22(2,3)4/h5-10,13H,11-12,14-15H2,1-4H3,(H,23,25)