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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butanamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)butyramide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C=C1

Isomeric SMILES

CCCC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C=C1

InChI

InChI=1S/C20H24N2O3S/c1-3-4-20(23)21-18-8-7-16-11-12-22(14-17(16)13-18)26(24,25)19-9-5-15(2)6-10-19/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)