2-methyl-5-nitro-N-(3-propan-2-yloxypropyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-(3-propan-2-yloxypropyl)benzenesulfonamide Openeye Name: N-(3-isopropoxypropyl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-(3-propan-2-yloxypropyl)benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-(3-propan-2-yloxypropyl)benzenesulfonamide Traditional Name: N-(3-isopropoxypropyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCOC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCOC(C)C

InChI

InChI=1S/C13H20N2O5S/c1-10(2)20-8-4-7-14-21(18,19)13-9-12(15(16)17)6-5-11(13)3/h5-6,9-10,14H,4,7-8H2,1-3H3