N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenyl-oxane-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenyl-oxane-4-carboxamide Openeye Name: 4-phenyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]tetrahydropyran-4-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenyl-4-oxanecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenyloxane-4-carboxamide Traditional Name: 4-phenyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)tetrahydropyran-4-carboxamide Formula: C28H30N2O4S MolecularWeight: 490.6138

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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)C4(CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4(CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N2O4S/c1-21-7-11-26(12-8-21)35(32,33)30-16-13-22-9-10-25(19-23(22)20-30)29-27(31)28(14-17-34-18-15-28)24-5-3-2-4-6-24/h2-12,19H,13-18,20H2,1H3,(H,29,31)