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

Systemtic Name: 2-ethylsulfanyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-ethylsulfanyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-(ethylthio)-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-(ethylthio)-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C2

InChI

InChI=1S/C25H26N2O3S2/c1-3-31-24-7-5-4-6-23(24)25(28)26-21-11-10-19-14-15-27(17-20(19)16-21)32(29,30)22-12-8-18(2)9-13-22/h4-13,16H,3,14-15,17H2,1-2H3,(H,26,28)