N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-5-nitro-2-furamide Formula: C19H23N3O8S MolecularWeight: 453.46622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H23N3O8S/c1-28-16-10-13-6-8-21(12-14(13)11-17(16)29-2)31(26,27)9-3-7-20-19(23)15-4-5-18(30-15)22(24)25/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,23)