N-[5-(1,3-dioxolan-2-yl)-2-oxidanyl-cyclohexyl]-N-methyl-4-nitro-benzenesulfonamide

Systemtic Name: N-[5-(1,3-dioxolan-2-yl)-2-oxidanyl-cyclohexyl]-N-methyl-4-nitro-benzenesulfonamide Openeye Name: N-[5-(1,3-dioxolan-2-yl)-2-hydroxy-cyclohexyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-[5-(1,3-dioxolan-2-yl)-2-hydroxycyclohexyl]-N-methyl-4-nitrobenzenesulfonamide IUPAC Name: N-[5-(1,3-dioxolan-2-yl)-2-hydroxycyclohexyl]-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-[5-(1,3-dioxolan-2-yl)-2-hydroxy-cyclohexyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CC(CCC1O)C2OCCO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C1CC(CCC1O)C2OCCO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O7S/c1-17(26(22,23)13-5-3-12(4-6-13)18(20)21)14-10-11(2-7-15(14)19)16-24-8-9-25-16/h3-6,11,14-16,19H,2,7-10H2,1H3