2-(2-chloranyl-4-nitro-phenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-(2-chloro-4-nitrophenoxy)-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN3O6S/c22-18-13-16(25(27)28)5-8-20(18)31-14-21(26)24-11-3-4-15-12-17(6-7-19(15)24)32(29,30)23-9-1-2-10-23/h5-8,12-13H,1-4,9-11,14H2