3-nitro-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide Openeye Name: 3-nitro-N-[(4-phenyltetrahydropyran-4-yl)methyl]benzenesulfonamide CAS Name: 3-nitro-N-[(4-phenyl-4-oxanyl)methyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide Traditional Name: 3-nitro-N-[(4-phenyltetrahydropyran-4-yl)methyl]benzenesulfonamide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1COCCC1(CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O5S/c21-20(22)16-7-4-8-17(13-16)26(23,24)19-14-18(9-11-25-12-10-18)15-5-2-1-3-6-15/h1-8,13,19H,9-12,14H2