4-[5-chloranyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]butanoic acid

Systemtic Name: 4-[5-chloranyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]butanoic acid Openeye Name: 4-[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]butanoic acid CAS Name: 4-[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-indolyl]butanoic acid IUPAC Name: 4-[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]butanoic acid Traditional Name: 4-[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]butyric acid Formula: C20H18ClNO6S MolecularWeight: 435.87802

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O

InChI

InChI=1S/C20H18ClNO6S/c21-14-4-6-17-13(10-14)11-15(2-1-3-20(23)24)22(17)29(25,26)16-5-7-18-19(12-16)28-9-8-27-18/h4-7,10-12H,1-3,8-9H2,(H,23,24)