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

Systemtic Name: 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-N-methyl-3-nitro-benzenesulfonamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-20-29(25,26)14-7-8-17(18(12-14)22(23)24)21-10-4-5-16(21)15-11-13(27-2)6-9-19(15)28-3/h6-9,11-12,16,20H,4-5,10H2,1-3H3/t16-/m1/s1