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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-13(2)19(23)21-9-8-14-6-7-16(10-15(14)12-21)20-28(26,27)18-5-3-4-17(11-18)22(24)25/h3-7,10-11,13,20H,8-9,12H2,1-2H3