6-[(4-methylphenyl)sulfonylmethyl]-5-nitro-isoquinoline

Systemtic Name: 6-[(4-methylphenyl)sulfonylmethyl]-5-nitro-isoquinoline Openeye Name: 5-nitro-6-(p-tolylsulfonylmethyl)isoquinoline CAS Name: 6-[(4-methylphenyl)sulfonylmethyl]-5-nitroisoquinoline IUPAC Name: 6-[(4-methylphenyl)sulfonylmethyl]-5-nitroisoquinoline Traditional Name: 5-nitro-6-(tosylmethyl)isoquinoline Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C3=C(C=C2)C=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C3=C(C=C2)C=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c1-12-2-6-15(7-3-12)24(22,23)11-14-5-4-13-10-18-9-8-16(13)17(14)19(20)21/h2-10H,11H2,1H3