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

Systemtic Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-5-nitro-2-furamide Formula: C18H21N3O8S MolecularWeight: 439.43964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O8S/c1-27-15-9-12-5-7-20(11-13(12)10-16(15)28-2)30(25,26)8-6-19-18(22)14-3-4-17(29-14)21(23)24/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,22)