N2,N7-bis-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxamide

Systemtic Name: N2,N7-bis-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxamide Openeye Name: N2,N7-bis(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-2,7-dicarboxamide CAS Name: N2,N7-bis-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxamide IUPAC Name: 2-N,7-N-bis-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxamide Traditional Name: N,N'-ditosyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxamide Formula: C25H25N3O6S2 MolecularWeight: 527.6125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(CCN(C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(CCN(C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C=C2

InChI

InChI=1S/C25H25N3O6S2/c1-17-3-9-22(10-4-17)35(31,32)26-24(29)20-8-7-19-13-14-28(16-21(19)15-20)25(30)27-36(33,34)23-11-5-18(2)6-12-23/h3-12,15H,13-14,16H2,1-2H3,(H,26,29)(H,27,30)