N-methyl-N-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-2-(1H-pyrazol-4-yl)ethanamine

Systemtic Name: N-methyl-N-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-2-(1H-pyrazol-4-yl)ethanamine Openeye Name: N-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine CAS Name: N-methyl-N-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-2-(1H-pyrazol-4-yl)ethanamine IUPAC Name: N-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-methyl-[2-(1H-pyrazol-4-yl)ethyl]amine Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)CN(C)CCC3=CNN=C3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)CN(C)CCC3=CNN=C3

InChI

InChI=1S/C21H29N5O2S/c1-17(2)14-26-20(15-25(3)10-9-19-11-23-24-12-19)13-22-21(26)29(27,28)16-18-7-5-4-6-8-18/h4-8,11-13,17H,9-10,14-16H2,1-3H3,(H,23,24)