2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidine

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidine Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidine CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidine IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidine Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-mesyl-2-nitro-phenyl)pyrrolidine Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-28(24,25)14-5-6-16(17(12-14)21(22)23)20-8-2-3-15(20)13-4-7-18-19(11-13)27-10-9-26-18/h4-7,11-12,15H,2-3,8-10H2,1H3