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

Systemtic Name: 6-[1-(4-methylphenyl)sulfonylethyl]-5-nitro-isoquinoline Openeye Name: 5-nitro-6-[1-(p-tolylsulfonyl)ethyl]isoquinoline CAS Name: 6-[1-(4-methylphenyl)sulfonylethyl]-5-nitroisoquinoline IUPAC Name: 6-[1-(4-methylphenyl)sulfonylethyl]-5-nitroisoquinoline Traditional Name: 5-nitro-6-(1-tosylethyl)isoquinoline 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)C=NC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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