1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanone

Systemtic Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanone Openeye Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-methylsulfonyl-2-nitro-anilino)ethanone CAS Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-methylsulfonyl-2-nitroanilino)ethanone IUPAC Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-methylsulfonyl-2-nitroanilino)ethanone Traditional Name: 2-(4-mesyl-2-nitro-anilino)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)CNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1C(=O)CNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-13-7-8-14-5-3-4-6-17(14)21(13)19(23)12-20-16-10-9-15(28(2,26)27)11-18(16)22(24)25/h3-6,9-11,13,20H,7-8,12H2,1-2H3/t13-/m0/s1