2-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[1-(2-methyl-1-oxopropyl)-3,4-dihydro-2H-quinolin-7-yl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-5-nitrobenzenesulfonamide Traditional Name: N-(1-isobutyryl-3,4-dihydro-2H-quinolin-7-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(CCCN3C(=O)C(C)C)C=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(CCCN3C(=O)C(C)C)C=C2

InChI

InChI=1S/C20H23N3O5S/c1-13(2)20(24)22-10-4-5-15-7-8-16(11-18(15)22)21-29(27,28)19-12-17(23(25)26)9-6-14(19)3/h6-9,11-13,21H,4-5,10H2,1-3H3