N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-pyridin-2-yl-methanamine

Systemtic Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-pyridin-2-yl-methanamine Openeye Name: N-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-N-methyl-1-(2-pyridyl)methanamine CAS Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-N-methyl-1-(2-pyridinyl)methanamine IUPAC Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-(2-pyridylmethyl)amine Formula: C21H34N4O2S MolecularWeight: 406.58526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)CN(C)CC2=CC=CC=N2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)CN(C)CC2=CC=CC=N2

InChI

InChI=1S/C21H34N4O2S/c1-5-6-13-25-20(17-24(4)16-19-11-7-8-12-22-19)15-23-21(25)28(26,27)14-9-10-18(2)3/h7-8,11-12,15,18H,5-6,9-10,13-14,16-17H2,1-4H3