N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6S/c1-11-5-7-14(10-16(11)19(20)21)26(22,23)18-12(2)15-9-13(24-3)6-8-17(15)25-4/h5-10,12,18H,1-4H3/t12-/m1/s1