1-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]-N-pentyl-methanesulfonamide

Systemtic Name: 1-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]-N-pentyl-methanesulfonamide Openeye Name: 1-[4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]phenyl]-N-pentyl-methanesulfonamide CAS Name: 1-[4-[2-[3-(1-imidazolyl)propylamino]propan-2-yl]phenyl]-N-pentylmethanesulfonamide IUPAC Name: 1-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]-N-pentylmethanesulfonamide Traditional Name: N-amyl-1-[4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]phenyl]methanesulfonamide Formula: C21H34N4O2S MolecularWeight: 406.58526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O2S/c1-4-5-6-13-24-28(26,27)17-19-8-10-20(11-9-19)21(2,3)23-12-7-15-25-16-14-22-18-25/h8-11,14,16,18,23-24H,4-7,12-13,15,17H2,1-3H3