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

Systemtic Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-5-nitro-2-furamide Formula: C18H21N3O7S MolecularWeight: 423.44024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C18H21N3O7S/c1-27-15-4-3-14-12-20(9-7-13(14)11-15)29(25,26)10-2-8-19-18(22)16-5-6-17(28-16)21(23)24/h3-6,11H,2,7-10,12H2,1H3,(H,19,22)