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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-ylsulfonyl)-5-chloranyl-indol-2-yl]butanoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-ylsulfonyl)-5-chloro-2-indolyl]butanoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-ylsulfonyl)-5-chloroindol-2-yl]butanoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-ylsulfonyl)-5-chloro-indol-2-yl]butyric acid Formula: C19H16ClNO6S MolecularWeight: 421.85144

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O

InChI

InChI=1S/C19H16ClNO6S/c20-13-4-6-16-12(8-13)9-14(2-1-3-19(22)23)21(16)28(24,25)15-5-7-17-18(10-15)27-11-26-17/h4-10H,1-3,11H2,(H,22,23)