1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanone

Systemtic Name: 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanone Openeye Name: 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(4-methylsulfonyl-2-nitro-anilino)ethanone CAS Name: 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(4-methylsulfonyl-2-nitroanilino)ethanone IUPAC Name: 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(4-methylsulfonyl-2-nitroanilino)ethanone Traditional Name: 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(4-mesyl-2-nitro-anilino)ethanone Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)N2CCCC3C2CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)N2CCC[C@H]3[C@@H]2CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5S/c1-27(25,26)14-8-9-15(17(11-14)21(23)24)19-12-18(22)20-10-4-6-13-5-2-3-7-16(13)20/h8-9,11,13,16,19H,2-7,10,12H2,1H3/t13-,16-/m0/s1