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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)CC1=CC=CC=C1C(C)(C)NCCCN2C=CN=C2

Isomeric SMILES

CCCCCCS(=O)(=O)CC1=CC=CC=C1C(C)(C)NCCCN2C=CN=C2

InChI

InChI=1S/C22H35N3O2S/c1-4-5-6-9-17-28(26,27)18-20-11-7-8-12-21(20)22(2,3)24-13-10-15-25-16-14-23-19-25/h7-8,11-12,14,16,19,24H,4-6,9-10,13,15,17-18H2,1-3H3