N-(4-methyl-3-nitro-phenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-(4-methyl-3-nitrophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-(4-methyl-3-nitro-phenyl)-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-12-5-7-15(11-17(12)21(23)24)19-18(22)14-6-8-16-13(10-14)4-3-9-20(16)27(2,25)26/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,22)