2,3-dimethyl-5-nitro-N-(3-phenylmethoxypropyl)benzenesulfonamide

Systemtic Name: 2,3-dimethyl-5-nitro-N-(3-phenylmethoxypropyl)benzenesulfonamide Openeye Name: N-(3-benzyloxypropyl)-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-5-nitro-N-(3-phenylmethoxypropyl)benzenesulfonamide IUPAC Name: 2,3-dimethyl-5-nitro-N-(3-phenylmethoxypropyl)benzenesulfonamide Traditional Name: N-(3-benzoxypropyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCCCOCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCCCOCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O5S/c1-14-11-17(20(21)22)12-18(15(14)2)26(23,24)19-9-6-10-25-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,19H,6,9-10,13H2,1-2H3