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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S2/c1-19-7-11-24(12-8-19)32(29,30)27-15-13-20-9-10-22(17-21(20)18-27)26-25(28)14-16-31-23-5-3-2-4-6-23/h2-12,17H,13-16,18H2,1H3,(H,26,28)