3-nitro-4-(phenylsulfonyl)isoquinoline

Systemtic Name: 3-nitro-4-(phenylsulfonyl)isoquinoline Openeye Name: 4-(benzenesulfonyl)-3-nitro-isoquinoline CAS Name: 4-(benzenesulfonyl)-3-nitroisoquinoline IUPAC Name: 4-(benzenesulfonyl)-3-nitroisoquinoline Traditional Name: 4-besyl-3-nitro-isoquinoline Formula: C15H10N2O4S MolecularWeight: 314.3159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=C(N=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=C(N=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O4S/c18-17(19)15-14(13-9-5-4-6-11(13)10-16-15)22(20,21)12-7-2-1-3-8-12/h1-10H