3-ethynyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline

Systemtic Name: 3-ethynyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline Openeye Name: 3-ethynyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline CAS Name: 3-ethynyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline IUPAC Name: 3-ethynyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline Traditional Name: (3-ethynylphenyl)-[1-(4-mesylphenyl)ethyl]amine Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C17H17NO2S/c1-4-14-6-5-7-16(12-14)18-13(2)15-8-10-17(11-9-15)21(3,19)20/h1,5-13,18H,2-3H3