ethyl 3-bromanyl-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonyl-benzoate CAS Name: 3-bromo-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]sulfonyl-benzoic acid ethyl ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4)Br

InChI

InChI=1S/C21H22BrNO6S/c1-2-27-21(24)15-6-8-20(16(22)12-15)30(25,26)23-9-3-4-17(23)14-5-7-18-19(13-14)29-11-10-28-18/h5-8,12-13,17H,2-4,9-11H2,1H3