methyl 4-(5-chloranyl-1-quinolin-8-ylsulfonyl-indol-2-yl)butanoate

Systemtic Name: methyl 4-(5-chloranyl-1-quinolin-8-ylsulfonyl-indol-2-yl)butanoate Openeye Name: methyl 4-[5-chloro-1-(8-quinolylsulfonyl)indol-2-yl]butanoate CAS Name: 4-[5-chloro-1-(8-quinolinylsulfonyl)-2-indolyl]butanoic acid methyl ester IUPAC Name: methyl 4-(5-chloro-1-quinolin-8-ylsulfonylindol-2-yl)butanoate Traditional Name: 4-[5-chloro-1-(8-quinolylsulfonyl)indol-2-yl]butyric acid methyl ester Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC2=C(N1S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C=CC(=C2)Cl

Isomeric SMILES

COC(=O)CCCC1=CC2=C(N1S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C=CC(=C2)Cl

InChI

InChI=1S/C22H19ClN2O4S/c1-29-21(26)9-3-7-18-14-16-13-17(23)10-11-19(16)25(18)30(27,28)20-8-2-5-15-6-4-12-24-22(15)20/h2,4-6,8,10-14H,3,7,9H2,1H3