6-[1-(4-methylphenyl)sulfonylethyl]-5-nitro-quinoline

Systemtic Name: 6-[1-(4-methylphenyl)sulfonylethyl]-5-nitro-quinoline Openeye Name: 5-nitro-6-[1-(p-tolylsulfonyl)ethyl]quinoline CAS Name: 6-[1-(4-methylphenyl)sulfonylethyl]-5-nitroquinoline IUPAC Name: 6-[1-(4-methylphenyl)sulfonylethyl]-5-nitroquinoline Traditional Name: 5-nitro-6-(1-tosylethyl)quinoline Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C)C2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C)C2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4S/c1-12-5-7-14(8-6-12)25(23,24)13(2)15-9-10-17-16(4-3-11-19-17)18(15)20(21)22/h3-11,13H,1-2H3