N-[4-(4-methylphenoxy)phenyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-(4-methylphenoxy)phenyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[4-(4-methylphenoxy)phenyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-(4-methylphenoxy)phenyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[4-(4-methylphenoxy)phenyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-mesyl-N-[4-(4-methylphenoxy)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C

InChI

InChI=1S/C24H24N2O4S/c1-17-7-11-21(12-8-17)30-22-13-9-20(10-14-22)25-24(27)23-15-18-5-3-4-6-19(18)16-26(23)31(2,28)29/h3-14,23H,15-16H2,1-2H3,(H,25,27)