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

Systemtic Name: 2-nitro-N-(3-propan-2-yloxypropyl)benzenesulfonamide Openeye Name: N-(3-isopropoxypropyl)-2-nitro-benzenesulfonamide CAS Name: 2-nitro-N-(3-propan-2-yloxypropyl)benzenesulfonamide IUPAC Name: 2-nitro-N-(3-propan-2-yloxypropyl)benzenesulfonamide Traditional Name: N-(3-isopropoxypropyl)-2-nitro-benzenesulfonamide Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O5S/c1-10(2)19-9-5-8-13-20(17,18)12-7-4-3-6-11(12)14(15)16/h3-4,6-7,10,13H,5,8-9H2,1-2H3