(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H24N2O5S/c1-17-6-9-21(10-7-17)33(29,30)27-16-19-5-3-2-4-18(19)14-22(27)25(28)26-20-8-11-23-24(15-20)32-13-12-31-23/h2-11,15,22H,12-14,16H2,1H3,(H,26,28)/t22-/m0/s1