2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-nitro-indol-4-yl]ethanenitrile

Systemtic Name: 2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-nitro-indol-4-yl]ethanenitrile Openeye Name: 2-[2-methyl-5-nitro-1-(p-tolylsulfonyl)indol-4-yl]acetonitrile CAS Name: 2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-nitro-4-indolyl]acetonitrile IUPAC Name: 2-[2-methyl-1-(4-methylphenyl)sulfonyl-5-nitroindol-4-yl]acetonitrile Traditional Name: 2-(2-methyl-5-nitro-1-tosyl-indol-4-yl)acetonitrile Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=CC(=C3CC#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=CC(=C3CC#N)[N+](=O)[O-])C

InChI

InChI=1S/C18H15N3O4S/c1-12-3-5-14(6-4-12)26(24,25)20-13(2)11-16-15(9-10-19)18(21(22)23)8-7-17(16)20/h3-8,11H,9H2,1-2H3