N,2-dimethyl-5-methylsulfonyl-N-octyl-aniline

Systemtic Name: N,2-dimethyl-5-methylsulfonyl-N-octyl-aniline Openeye Name: N,2-dimethyl-5-methylsulfonyl-N-octyl-aniline CAS Name: N,2-dimethyl-5-methylsulfonyl-N-octylaniline IUPAC Name: N,2-dimethyl-5-methylsulfonyl-N-octylaniline Traditional Name: (5-mesyl-2-methyl-phenyl)-methyl-octyl-amine Formula: C17H29NO2S MolecularWeight: 311.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C)C1=C(C=CC(=C1)S(=O)(=O)C)C

Isomeric SMILES

CCCCCCCCN(C)C1=C(C=CC(=C1)S(=O)(=O)C)C

InChI

InChI=1S/C17H29NO2S/c1-5-6-7-8-9-10-13-18(3)17-14-16(21(4,19)20)12-11-15(17)2/h11-12,14H,5-10,13H2,1-4H3