7-chloranyl-3-[2-[3-(4-hydroxyphenyl)piperidin-1-yl]ethylsulfanylmethyl]-1H-indole-6-carboxylic acid

Systemtic Name: 7-chloranyl-3-[2-[3-(4-hydroxyphenyl)piperidin-1-yl]ethylsulfanylmethyl]-1H-indole-6-carboxylic acid Openeye Name: 7-chloro-3-[2-[3-(4-hydroxyphenyl)-1-piperidyl]ethylsulfanylmethyl]-1H-indole-6-carboxylic acid CAS Name: 7-chloro-3-[[2-[3-(4-hydroxyphenyl)-1-piperidinyl]ethylthio]methyl]-1H-indole-6-carboxylic acid IUPAC Name: 7-chloro-3-[2-[3-(4-hydroxyphenyl)piperidin-1-yl]ethylsulfanylmethyl]-1H-indole-6-carboxylic acid Traditional Name: 7-chloro-3-[[2-[3-(4-hydroxyphenyl)piperidino]ethylthio]methyl]-1H-indole-6-carboxylic acid Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCSCC2=CNC3=C2C=CC(=C3Cl)C(=O)O)C4=CC=C(C=C4)O

Isomeric SMILES

C1CC(CN(C1)CCSCC2=CNC3=C2C=CC(=C3Cl)C(=O)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H25ClN2O3S/c24-21-20(23(28)29)8-7-19-17(12-25-22(19)21)14-30-11-10-26-9-1-2-16(13-26)15-3-5-18(27)6-4-15/h3-8,12,16,25,27H,1-2,9-11,13-14H2,(H,28,29)