N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2

InChI

InChI=1S/C18H19N3O5S/c1-12-3-6-17(21(23)24)10-18(12)27(25,26)19-16-5-4-14-7-8-20(13(2)22)11-15(14)9-16/h3-6,9-10,19H,7-8,11H2,1-2H3