2-(5-methoxy-2-methyl-1-methylsulfonyl-indol-3-yl)ethanenitrile

Systemtic Name: 2-(5-methoxy-2-methyl-1-methylsulfonyl-indol-3-yl)ethanenitrile Openeye Name: 2-(5-methoxy-2-methyl-1-methylsulfonyl-indol-3-yl)acetonitrile CAS Name: 2-(5-methoxy-2-methyl-1-methylsulfonyl-3-indolyl)acetonitrile IUPAC Name: 2-(5-methoxy-2-methyl-1-methylsulfonylindol-3-yl)acetonitrile Traditional Name: 2-(1-mesyl-5-methoxy-2-methyl-indol-3-yl)acetonitrile Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C)C=CC(=C2)OC)CC#N

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C)C=CC(=C2)OC)CC#N

InChI

InChI=1S/C13H14N2O3S/c1-9-11(6-7-14)12-8-10(18-2)4-5-13(12)15(9)19(3,16)17/h4-5,8H,6H2,1-3H3