(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1-(4-chlorophenyl)sulfonylcyclobutane-1-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1-(4-chlorophenyl)sulfonylcyclobutane-1-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1-(4-chlorophenyl)sulfonylcyclobutanecarboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-1-cyclobutanecarboxylic 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 1-(4-chlorophenyl)sulfonylcyclobutane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylcyclobutanecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H20Cl2O6S MolecularWeight: 471.3509

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(C1)(C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20Cl2O6S/c22-15-3-5-16(6-4-15)30(25,26)21(7-1-8-21)20(24)29-13-14-11-17(23)19-18(12-14)27-9-2-10-28-19/h3-6,11-12H,1-2,7-10,13H2