2-(1,3-dioxolan-2-yl)-3-methoxy-6-nitro-5-(phenylsulfonylmethyl)pyridine

Systemtic Name: 2-(1,3-dioxolan-2-yl)-3-methoxy-6-nitro-5-(phenylsulfonylmethyl)pyridine Openeye Name: 5-(benzenesulfonylmethyl)-2-(1,3-dioxolan-2-yl)-3-methoxy-6-nitro-pyridine CAS Name: 5-(benzenesulfonylmethyl)-2-(1,3-dioxolan-2-yl)-3-methoxy-6-nitropyridine IUPAC Name: 5-(benzenesulfonylmethyl)-2-(1,3-dioxolan-2-yl)-3-methoxy-6-nitropyridine Traditional Name: 5-(besylmethyl)-2-(1,3-dioxolan-2-yl)-3-methoxy-6-nitro-pyridine Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C(=C1)CS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])C3OCCO3

Isomeric SMILES

COC1=C(N=C(C(=C1)CS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])C3OCCO3

InChI

InChI=1S/C16H16N2O7S/c1-23-13-9-11(10-26(21,22)12-5-3-2-4-6-12)15(18(19)20)17-14(13)16-24-7-8-25-16/h2-6,9,16H,7-8,10H2,1H3