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

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitro-benzenesulfonamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitrobenzenesulfonamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitro-benzenesulfonamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S/c1-12(21)19-9-8-13-2-3-15(10-14(13)11-19)18-26(24,25)17-6-4-16(5-7-17)20(22)23/h2-7,10,18H,8-9,11H2,1H3