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

Systemtic Name: 2-methyl-5-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O5S/c1-3-19(23)21-9-8-14-5-6-16(10-15(14)12-21)20-28(26,27)18-11-17(22(24)25)7-4-13(18)2/h4-7,10-11,20H,3,8-9,12H2,1-2H3