(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidine

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidine Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidine CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidine IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidine Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-mesyl-2-nitro-phenyl)pyrrolidine Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-29(25,26)15-6-7-17(18(13-15)22(23)24)21-9-2-4-16(21)14-5-8-19-20(12-14)28-11-3-10-27-19/h5-8,12-13,16H,2-4,9-11H2,1H3/t16-/m1/s1