methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate CAS Name: 2-[[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoic acid methyl ester Formula: C26H24N2O7S MolecularWeight: 508.54296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H24N2O7S/c1-33-26(30)20-8-4-5-9-21(20)27-25(29)22-14-17-6-2-3-7-18(17)16-28(22)36(31,32)19-10-11-23-24(15-19)35-13-12-34-23/h2-11,15,22H,12-14,16H2,1H3,(H,27,29)