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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxy-5-nitro-phenyl)sulfonyl-pyrrolidine Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxy-5-nitro-phenyl)sulfonyl-pyrrolidine CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxy-5-nitrophenyl)sulfonylpyrrolidine IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxy-5-nitrophenyl)sulfonylpyrrolidine Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methoxy-5-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)[N+](=O)[O-])S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

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

InChI

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