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

Systemtic Name: 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-3-nitro-benzenesulfonamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-26-12-5-8-18(27-2)14(10-12)15-4-3-9-20(15)16-7-6-13(28(19,24)25)11-17(16)21(22)23/h5-8,10-11,15H,3-4,9H2,1-2H3,(H2,19,24,25)/t15-/m1/s1