[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate CAS Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate Traditional Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C22H22ClNO7S MolecularWeight: 479.93058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C22H22ClNO7S/c23-18-11-15(12-20-22(18)30-10-9-29-20)13-21(26)31-14-19(25)16-3-5-17(6-4-16)32(27,28)24-7-1-2-8-24/h3-6,11-12H,1-2,7-10,13-14H2