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

Systemtic Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide Openeye Name: 3-methyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butanamide CAS Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide IUPAC Name: 3-methyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide Traditional Name: 3-methyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)butyramide Formula: C21H26N2O3S MolecularWeight: 386.50774

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-15(2)12-21(24)22-19-7-6-17-10-11-23(14-18(17)13-19)27(25,26)20-8-4-16(3)5-9-20/h4-9,13,15H,10-12,14H2,1-3H3,(H,22,24)