N-(1-cyclopropylcarbonyl-3,4-dihydro-2H-quinolin-6-yl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(1-cyclopropylcarbonyl-3,4-dihydro-2H-quinolin-6-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[1-[cyclopropyl(oxo)methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-5-nitro-benzenesulfonamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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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(C=C2)N(CCC3)C(=O)C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C4CC4

InChI

InChI=1S/C20H21N3O5S/c1-13-4-8-17(23(25)26)12-19(13)29(27,28)21-16-7-9-18-15(11-16)3-2-10-22(18)20(24)14-5-6-14/h4,7-9,11-12,14,21H,2-3,5-6,10H2,1H3