(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-pyrrolidine

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-pyrrolidine Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-pyrrolidine CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrrolidine IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrrolidine Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-pyrrolidine Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6S/c1-14-11-17(23(24)25)13-21(15(14)2)30(26,27)22-8-3-5-18(22)16-6-7-19-20(12-16)29-10-4-9-28-19/h6-7,11-13,18H,3-5,8-10H2,1-2H3/t18-/m0/s1