N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrophenyl)sulfonylamino]-6-oxidanylidene-hexyl]furan-2-carboxamide

Systemtic Name: N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrophenyl)sulfonylamino]-6-oxidanylidene-hexyl]furan-2-carboxamide Openeye Name: N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrophenyl)sulfonylamino]-6-oxo-hexyl]furan-2-carboxamide CAS Name: N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrophenyl)sulfonylamino]-6-oxohexyl]-2-furancarboxamide IUPAC Name: N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrophenyl)sulfonylamino]-6-oxohexyl]furan-2-carboxamide Traditional Name: N-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-5-(nosylamino)hexyl]-2-furamide Formula: C28H32N4O9S MolecularWeight: 600.64008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCCCNC(=O)C3=CC=CO3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCCCNC(=O)C3=CC=CO3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C28H32N4O9S/c1-39-25-16-19-12-14-31(18-20(19)17-26(25)40-2)28(34)23(6-3-4-13-29-27(33)24-7-5-15-41-24)30-42(37,38)22-10-8-21(9-11-22)32(35)36/h5,7-11,15-17,23,30H,3-4,6,12-14,18H2,1-2H3,(H,29,33)