1-methylsulfonyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H21N3O6S/c1-29(27,28)21-10-2-3-14-11-15(6-9-17(14)21)19(24)20-12-18(23)13-4-7-16(8-5-13)22(25)26/h4-9,11,18,23H,2-3,10,12H2,1H3,(H,20,24)