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

Systemtic Name: 4-chloranyl-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-nitro-benzamide Formula: C21H24ClN3O7S MolecularWeight: 497.94916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O7S/c1-31-19-11-14-6-8-24(13-16(14)12-20(19)32-2)33(29,30)9-3-7-23-21(26)15-4-5-17(22)18(10-15)25(27)28/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,23,26)