2-methyl-N-(3-methylbutyl)-5-methylsulfonyl-aniline

Systemtic Name: 2-methyl-N-(3-methylbutyl)-5-methylsulfonyl-aniline Openeye Name: N-isopentyl-2-methyl-5-methylsulfonyl-aniline CAS Name: 2-methyl-N-(3-methylbutyl)-5-methylsulfonylaniline IUPAC Name: 2-methyl-N-(3-methylbutyl)-5-methylsulfonylaniline Traditional Name: isoamyl-(5-mesyl-2-methyl-phenyl)amine Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NCCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NCCC(C)C

InChI

InChI=1S/C13H21NO2S/c1-10(2)7-8-14-13-9-12(17(4,15)16)6-5-11(13)3/h5-6,9-10,14H,7-8H2,1-4H3