3-[4-(4-methylphenyl)sulfonylbut-1-ynyl]aniline

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylbut-1-ynyl]aniline Openeye Name: 3-[4-(p-tolylsulfonyl)but-1-ynyl]aniline CAS Name: 3-[4-(4-methylphenyl)sulfonylbut-1-ynyl]aniline IUPAC Name: 3-[4-(4-methylphenyl)sulfonylbut-1-ynyl]aniline Traditional Name: [3-(4-tosylbut-1-ynyl)phenyl]amine Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC#CC2=CC(=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC#CC2=CC(=CC=C2)N

InChI

InChI=1S/C17H17NO2S/c1-14-8-10-17(11-9-14)21(19,20)12-3-2-5-15-6-4-7-16(18)13-15/h4,6-11,13H,3,12,18H2,1H3