2-[4-(hexylsulfonylmethyl)phenyl]-N-(3-imidazol-1-ylpropyl)propan-2-amine

Systemtic Name: 2-[4-(hexylsulfonylmethyl)phenyl]-N-(3-imidazol-1-ylpropyl)propan-2-amine Openeye Name: 2-[4-(hexylsulfonylmethyl)phenyl]-N-(3-imidazol-1-ylpropyl)propan-2-amine CAS Name: 2-[4-(hexylsulfonylmethyl)phenyl]-N-[3-(1-imidazolyl)propyl]-2-propanamine IUPAC Name: 2-[4-(hexylsulfonylmethyl)phenyl]-N-(3-imidazol-1-ylpropyl)propan-2-amine Traditional Name: [1-[4-(hexylsulfonylmethyl)phenyl]-1-methyl-ethyl]-(3-imidazol-1-ylpropyl)amine Formula: C22H35N3O2S MolecularWeight: 405.5972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)CC1=CC=C(C=C1)C(C)(C)NCCCN2C=CN=C2

Isomeric SMILES

CCCCCCS(=O)(=O)CC1=CC=C(C=C1)C(C)(C)NCCCN2C=CN=C2

InChI

InChI=1S/C22H35N3O2S/c1-4-5-6-7-17-28(26,27)18-20-9-11-21(12-10-20)22(2,3)24-13-8-15-25-16-14-23-19-25/h9-12,14,16,19,24H,4-8,13,15,17-18H2,1-3H3