N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-nitro-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide

Systemtic Name: N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-nitro-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide Openeye Name: N-(1-benzyloxyallyl)-N-[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-nitro-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide IUPAC Name: N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-nitro-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide Traditional Name: N-(1-benzoxyallyl)-N-[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-4-nitro-benzenesulfonamide Formula: C27H30N2O7S MolecularWeight: 526.6013

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)N(C(C=C)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)OC)N(C(C=C)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H30N2O7S/c1-5-27(36-19-21-9-7-6-8-10-21)28(37(32,33)24-14-12-23(13-15-24)29(30)31)20(2)17-22-11-16-25(34-3)26(18-22)35-4/h5-16,18,20,27H,1,17,19H2,2-4H3