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

Systemtic Name: 3-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Openeye Name: 3-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide CAS Name: 3-nitro-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 3-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Traditional Name: 3-nitro-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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