3-(4-azanylbutyl)-7-chloranyl-2-(2-methylsulfanylphenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(2-methylsulfanylphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(2-methylsulfanylphenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-[2-(methylthio)phenyl]-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(2-methylsulfanylphenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-[2-(methylthio)phenyl]-1H-indole-4-carboxylic acid Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

Isomeric SMILES

CSC1=CC=CC=C1C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C20H21ClN2O2S/c1-26-16-8-3-2-6-12(16)18-13(7-4-5-11-22)17-14(20(24)25)9-10-15(21)19(17)23-18/h2-3,6,8-10,23H,4-5,7,11,22H2,1H3,(H,24,25)