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

Systemtic Name: N-ethyl-N-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-2-pyrazol-1-yl-ethanamine Openeye Name: N-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-N-ethyl-2-pyrazol-1-yl-ethanamine CAS Name: N-ethyl-N-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-2-(1-pyrazolyl)ethanamine IUPAC Name: N-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-ethyl-(2-pyrazol-1-ylethyl)amine Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C=CC=N1)CC2=CN=C(N2CC(C)C)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN(CCN1C=CC=N1)CC2=CN=C(N2CC(C)C)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O2S/c1-4-25(13-14-26-12-8-11-24-26)17-21-15-23-22(27(21)16-19(2)3)30(28,29)18-20-9-6-5-7-10-20/h5-12,15,19H,4,13-14,16-18H2,1-3H3