(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic 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-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C23H26ClNO7S MolecularWeight: 495.97304

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C23H26ClNO7S/c24-20-14-18(15-21-23(20)31-11-1-10-30-21)16-32-22(26)7-4-17-2-5-19(6-3-17)33(27,28)25-8-12-29-13-9-25/h2-3,5-6,14-15H,1,4,7-13,16H2