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

Systemtic Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-pyridin-3-yl-methanamine Openeye Name: N-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-N-methyl-1-(3-pyridyl)methanamine CAS Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-N-methyl-1-(3-pyridinyl)methanamine IUPAC Name: N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-(3-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=CN=CC=C2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)CN(C)CC2=CN=CC=C2

InChI

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