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

Systemtic Name: 3-bromanyl-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitro-benzenesulfonamide Openeye Name: 3-bromo-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitro-benzenesulfonamide CAS Name: 3-bromo-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzenesulfonamide IUPAC Name: 3-bromo-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzenesulfonamide Traditional Name: 3-bromo-N-cyclopropyl-N-(2,5-dimethoxybenzyl)-4-nitro-benzenesulfonamide Formula: C18H19BrN2O6S MolecularWeight: 471.32226

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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-])Br

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O6S/c1-26-14-5-8-18(27-2)12(9-14)11-20(13-3-4-13)28(24,25)15-6-7-17(21(22)23)16(19)10-15/h5-10,13H,3-4,11H2,1-2H3