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

Systemtic Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methyl-3-nitro-benzamide Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCS(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCS(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H27N3O7S/c1-15-18(6-4-7-19(15)25(27)28)22(26)23-9-5-11-33(29,30)24-10-8-16-12-20(31-2)21(32-3)13-17(16)14-24/h4,6-7,12-13H,5,8-11,14H2,1-3H3,(H,23,26)