2-(4-chloranyl-6-methoxy-1-methylsulfonyl-indol-3-yl)ethanenitrile

Systemtic Name: 2-(4-chloranyl-6-methoxy-1-methylsulfonyl-indol-3-yl)ethanenitrile Openeye Name: 2-(4-chloro-6-methoxy-1-methylsulfonyl-indol-3-yl)acetonitrile CAS Name: 2-(4-chloro-6-methoxy-1-methylsulfonyl-3-indolyl)acetonitrile IUPAC Name: 2-(4-chloro-6-methoxy-1-methylsulfonylindol-3-yl)acetonitrile Traditional Name: 2-(4-chloro-1-mesyl-6-methoxy-indol-3-yl)acetonitrile Formula: C12H11ClN2O3S MolecularWeight: 298.74534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)N(C=C2CC#N)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=CC(=C2C(=C1)N(C=C2CC#N)S(=O)(=O)C)Cl

InChI

InChI=1S/C12H11ClN2O3S/c1-18-9-5-10(13)12-8(3-4-14)7-15(11(12)6-9)19(2,16)17/h5-7H,3H2,1-2H3