7-chloranyl-3-[2-[3-(4-hydroxyphenyl)piperidin-1-yl]ethylsulfanylmethyl]-1H-indole-5-carboxylic acid

Systemtic Name: 7-chloranyl-3-[2-[3-(4-hydroxyphenyl)piperidin-1-yl]ethylsulfanylmethyl]-1H-indole-5-carboxylic acid Openeye Name: 7-chloro-3-[2-[3-(4-hydroxyphenyl)-1-piperidyl]ethylsulfanylmethyl]-1H-indole-5-carboxylic acid CAS Name: 7-chloro-3-[[2-[3-(4-hydroxyphenyl)-1-piperidinyl]ethylthio]methyl]-1H-indole-5-carboxylic acid IUPAC Name: 7-chloro-3-[2-[3-(4-hydroxyphenyl)piperidin-1-yl]ethylsulfanylmethyl]-1H-indole-5-carboxylic acid Traditional Name: 7-chloro-3-[[2-[3-(4-hydroxyphenyl)piperidino]ethylthio]methyl]-1H-indole-5-carboxylic acid Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCSCC2=CNC3=C(C=C(C=C23)C(=O)O)Cl)C4=CC=C(C=C4)O

Isomeric SMILES

C1CC(CN(C1)CCSCC2=CNC3=C(C=C(C=C23)C(=O)O)Cl)C4=CC=C(C=C4)O

InChI

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