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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-phenyl-butanamide Openeye Name: 2-phenyl-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]-2-phenylbutanamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-phenylbutanamide Traditional Name: 2-phenyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)butyramide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

InChI

InChI=1S/C26H28N2O3S/c1-3-25(21-7-5-4-6-8-21)26(29)27-23-12-11-20-15-16-28(18-22(20)17-23)32(30,31)24-13-9-19(2)10-14-24/h4-14,17,25H,3,15-16,18H2,1-2H3,(H,27,29)