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

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

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