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

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-pyrrolidine Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-pyrrolidine CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methoxy-3-nitrophenyl)sulfonylpyrrolidine IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methoxy-3-nitrophenyl)sulfonylpyrrolidine Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-pyrrolidine Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S/c1-27-18-8-6-15(13-17(18)22(23)24)30(25,26)21-9-2-4-16(21)14-5-7-19-20(12-14)29-11-3-10-28-19/h5-8,12-13,16H,2-4,9-11H2,1H3/t16-/m0/s1