3-[(4-methylphenyl)sulfonylmethyl]-4-octoxy-aniline

Systemtic Name: 3-[(4-methylphenyl)sulfonylmethyl]-4-octoxy-aniline Openeye Name: 4-octoxy-3-(p-tolylsulfonylmethyl)aniline CAS Name: 3-[(4-methylphenyl)sulfonylmethyl]-4-octoxyaniline IUPAC Name: 3-[(4-methylphenyl)sulfonylmethyl]-4-octoxyaniline Traditional Name: [4-octoxy-3-(tosylmethyl)phenyl]amine Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H31NO3S/c1-3-4-5-6-7-8-15-26-22-14-11-20(23)16-19(22)17-27(24,25)21-12-9-18(2)10-13-21/h9-14,16H,3-8,15,17,23H2,1-2H3