dimethyl 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H25NO8S MolecularWeight: 475.5115

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4)C(=O)OC

InChI

InChI=1S/C23H25NO8S/c1-29-22(25)16-11-17(23(26)30-2)13-18(12-16)33(27,28)24-8-3-5-19(24)15-6-7-20-21(14-15)32-10-4-9-31-20/h6-7,11-14,19H,3-5,8-10H2,1-2H3/t19-/m0/s1