N-[[4-(3-methylsulfonylphenoxy)phenyl]methyl]ethanamine

Systemtic Name: N-[[4-(3-methylsulfonylphenoxy)phenyl]methyl]ethanamine Openeye Name: N-[[4-(3-methylsulfonylphenoxy)phenyl]methyl]ethanamine CAS Name: N-[[4-(3-methylsulfonylphenoxy)phenyl]methyl]ethanamine IUPAC Name: N-[[4-(3-methylsulfonylphenoxy)phenyl]methyl]ethanamine Traditional Name: ethyl-[4-(3-mesylphenoxy)benzyl]amine Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC=C(C=C1)OC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCNCC1=CC=C(C=C1)OC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C16H19NO3S/c1-3-17-12-13-7-9-14(10-8-13)20-15-5-4-6-16(11-15)21(2,18)19/h4-11,17H,3,12H2,1-2H3