N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-3-nitro-benzenesulfonamide CAS Name: N-[1-(2-methyl-1-oxopropyl)-3,4-dihydro-2H-quinolin-6-yl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(1-isobutyryl-3,4-dihydro-2H-quinolin-6-yl)-3-nitro-benzenesulfonamide Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCCC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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