N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C16H22N2O6S MolecularWeight: 370.42068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2COC3(O2)CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2COC3(O2)CCCCC3

InChI

InChI=1S/C16H22N2O6S/c1-12-5-6-13(18(19)20)9-15(12)25(21,22)17-10-14-11-23-16(24-14)7-3-2-4-8-16/h5-6,9,14,17H,2-4,7-8,10-11H2,1H3