(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H22ClNO6S/c22-18-11-15(12-19-20(18)28-10-4-9-27-19)14-29-21(24)16-5-3-6-17(13-16)30(25,26)23-7-1-2-8-23/h3,5-6,11-13H,1-2,4,7-10,14H2