2-[5-[4,4-bis(oxidanyl)butoxy]-2-methylsulfanyl-1-(phenylmethyl)indol-3-yl]ethanamide

Systemtic Name: 2-[5-[4,4-bis(oxidanyl)butoxy]-2-methylsulfanyl-1-(phenylmethyl)indol-3-yl]ethanamide Openeye Name: 2-[1-benzyl-5-(4,4-dihydroxybutoxy)-2-methylsulfanyl-indol-3-yl]acetamide CAS Name: 2-[5-(4,4-dihydroxybutoxy)-2-(methylthio)-1-(phenylmethyl)-3-indolyl]acetamide IUPAC Name: 2-[1-benzyl-5-(4,4-dihydroxybutoxy)-2-methylsulfanylindol-3-yl]acetamide Traditional Name: 2-[1-benzyl-5-(4,4-dihydroxybutoxy)-2-(methylthio)indol-3-yl]acetamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(O)O)CC(=O)N

Isomeric SMILES

CSC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(O)O)CC(=O)N

InChI

InChI=1S/C22H26N2O4S/c1-29-22-18(13-20(23)25)17-12-16(28-11-5-8-21(26)27)9-10-19(17)24(22)14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,21,26-27H,5,8,11,13-14H2,1H3,(H2,23,25)