1-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]sulfonylphenyl]ethanone Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-15(23)16-5-8-18(9-6-16)28(24,25)22-11-2-4-19(22)17-7-10-20-21(14-17)27-13-3-12-26-20/h5-10,14,19H,2-4,11-13H2,1H3/t19-/m1/s1