N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitro-benzenesulfonamide Openeye Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitro-benzenesulfonamide CAS Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzenesulfonamide Traditional Name: N-cyclopropyl-N-(2,5-dimethoxybenzyl)-4-nitro-benzenesulfonamide Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(C2CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(C2CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-25-16-7-10-18(26-2)13(11-16)12-19(14-3-4-14)27(23,24)17-8-5-15(6-9-17)20(21)22/h5-11,14H,3-4,12H2,1-2H3