4-(5-chloranyl-1-quinolin-8-ylsulfonyl-indol-2-yl)butanoic acid

Systemtic Name: 4-(5-chloranyl-1-quinolin-8-ylsulfonyl-indol-2-yl)butanoic acid Openeye Name: 4-[5-chloro-1-(8-quinolylsulfonyl)indol-2-yl]butanoic acid CAS Name: 4-[5-chloro-1-(8-quinolinylsulfonyl)-2-indolyl]butanoic acid IUPAC Name: 4-(5-chloro-1-quinolin-8-ylsulfonylindol-2-yl)butanoic acid Traditional Name: 4-[5-chloro-1-(8-quinolylsulfonyl)indol-2-yl]butyric acid Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O)N=CC=C2

InChI

InChI=1S/C21H17ClN2O4S/c22-16-9-10-18-15(12-16)13-17(6-2-8-20(25)26)24(18)29(27,28)19-7-1-4-14-5-3-11-23-21(14)19/h1,3-5,7,9-13H,2,6,8H2,(H,25,26)