N-(3-methoxypropyl)-2,4-bis(methylsulfonyl)aniline

Systemtic Name: N-(3-methoxypropyl)-2,4-bis(methylsulfonyl)aniline Openeye Name: N-(3-methoxypropyl)-2,4-bis(methylsulfonyl)aniline CAS Name: N-(3-methoxypropyl)-2,4-bis(methylsulfonyl)aniline IUPAC Name: N-(3-methoxypropyl)-2,4-bis(methylsulfonyl)aniline Traditional Name: (2,4-dimesylphenyl)-(3-methoxypropyl)amine Formula: C12H19NO5S2 MolecularWeight: 321.41296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

COCCCNC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C12H19NO5S2/c1-18-8-4-7-13-11-6-5-10(19(2,14)15)9-12(11)20(3,16)17/h5-6,9,13H,4,7-8H2,1-3H3