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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-14-5-7-16(13-18(14)22(23)24)29(25,26)21-9-2-4-17(21)15-6-8-19-20(12-15)28-11-3-10-27-19/h5-8,12-13,17H,2-4,9-11H2,1H3/t17-/m0/s1