2-azanyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanenitrile

Systemtic Name: 2-azanyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanenitrile Openeye Name: 2-amino-3-[1-(p-tolylsulfonyl)indol-3-yl]propanenitrile CAS Name: 2-amino-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]propanenitrile IUPAC Name: 2-amino-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanenitrile Traditional Name: 2-amino-3-(1-tosylindol-3-yl)propionitrile Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C#N)N

InChI

InChI=1S/C18H17N3O2S/c1-13-6-8-16(9-7-13)24(22,23)21-12-14(10-15(20)11-19)17-4-2-3-5-18(17)21/h2-9,12,15H,10,20H2,1H3