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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-2-nitro-N-propyl-benzenesulfonamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-2-nitro-N-propyl-benzenesulfonamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-2-nitro-N-propylbenzenesulfonamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-2-nitro-N-propylbenzenesulfonamide Traditional Name: N-(3,4-diethoxybenzyl)-2-nitro-N-propyl-benzenesulfonamide Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC(=C(C=C1)OCC)OCC)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=CC(=C(C=C1)OCC)OCC)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O6S/c1-4-13-21(29(25,26)20-10-8-7-9-17(20)22(23)24)15-16-11-12-18(27-5-2)19(14-16)28-6-3/h7-12,14H,4-6,13,15H2,1-3H3