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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-benzamide Openeye Name: 4-propyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylbenzamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylbenzamide Traditional Name: 4-propyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

InChI

InChI=1S/C26H28N2O3S/c1-3-4-20-7-9-22(10-8-20)26(29)27-24-12-11-21-15-16-28(18-23(21)17-24)32(30,31)25-13-5-19(2)6-14-25/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,27,29)