N-[3-(2-ethoxyphenyl)propyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(2-ethoxyphenyl)propyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(2-ethoxyphenyl)propyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-(2-ethoxyphenyl)propyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(2-ethoxyphenyl)propyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-(3-o-phenetylpropyl)benzenesulfonamide Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCCNS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1CCCNS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O5S/c1-3-25-18-9-5-4-7-15(18)8-6-12-19-26(23,24)16-11-10-14(2)17(13-16)20(21)22/h4-5,7,9-11,13,19H,3,6,8,12H2,1-2H3