2-[7-methoxy-1-(4-methylphenyl)sulfonyl-indol-4-yl]ethanenitrile

Systemtic Name: 2-[7-methoxy-1-(4-methylphenyl)sulfonyl-indol-4-yl]ethanenitrile Openeye Name: 2-[7-methoxy-1-(p-tolylsulfonyl)indol-4-yl]acetonitrile CAS Name: 2-[7-methoxy-1-(4-methylphenyl)sulfonyl-4-indolyl]acetonitrile IUPAC Name: 2-[7-methoxy-1-(4-methylphenyl)sulfonylindol-4-yl]acetonitrile Traditional Name: 2-(7-methoxy-1-tosyl-indol-4-yl)acetonitrile Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC(=C32)OC)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC(=C32)OC)CC#N

InChI

InChI=1S/C18H16N2O3S/c1-13-3-6-15(7-4-13)24(21,22)20-12-10-16-14(9-11-19)5-8-17(23-2)18(16)20/h3-8,10,12H,9H2,1-2H3