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

Systemtic Name: 3,4-diethoxy-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 3,4-diethoxy-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3,4-diethoxy-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 3,4-diethoxy-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 3,4-diethoxy-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2)OCC

InChI

InChI=1S/C27H30N2O5S/c1-4-33-25-13-9-21(17-26(25)34-5-2)27(30)28-23-10-8-20-14-15-29(18-22(20)16-23)35(31,32)24-11-6-19(3)7-12-24/h6-13,16-17H,4-5,14-15,18H2,1-3H3,(H,28,30)