2-[5-chloranyl-2-(2-hydroxyethyl)-3-methylsulfonyl-indol-1-yl]ethanenitrile

Systemtic Name: 2-[5-chloranyl-2-(2-hydroxyethyl)-3-methylsulfonyl-indol-1-yl]ethanenitrile Openeye Name: 2-[5-chloro-2-(2-hydroxyethyl)-3-methylsulfonyl-indol-1-yl]acetonitrile CAS Name: 2-[5-chloro-2-(2-hydroxyethyl)-3-methylsulfonyl-1-indolyl]acetonitrile IUPAC Name: 2-[5-chloro-2-(2-hydroxyethyl)-3-methylsulfonylindol-1-yl]acetonitrile Traditional Name: 2-[5-chloro-2-(2-hydroxyethyl)-3-mesyl-indol-1-yl]acetonitrile Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N(C2=C1C=C(C=C2)Cl)CC#N)CCO

Isomeric SMILES

CS(=O)(=O)C1=C(N(C2=C1C=C(C=C2)Cl)CC#N)CCO

InChI

InChI=1S/C13H13ClN2O3S/c1-20(18,19)13-10-8-9(14)2-3-11(10)16(6-5-15)12(13)4-7-17/h2-3,8,17H,4,6-7H2,1H3