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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O3S/c24-20-7-6-19(23(28)29)21-17(12-25-22(20)21)14-30-10-9-26-8-2-4-16(13-26)15-3-1-5-18(27)11-15/h1,3,5-7,11-12,16,25,27H,2,4,8-10,13-14H2,(H,28,29)