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

Systemtic Name: 1-ethyl-4-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperazine Openeye Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-4-ethyl-piperazine CAS Name: 1-ethyl-4-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]piperazine IUPAC Name: 1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-4-ethylpiperazine Traditional Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-4-ethyl-piperazine Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CN=C(N2CC(C)C)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN1CCN(CC1)CC2=CN=C(N2CC(C)C)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O2S/c1-4-23-10-12-24(13-11-23)16-20-14-22-21(25(20)15-18(2)3)28(26,27)17-19-8-6-5-7-9-19/h5-9,14,18H,4,10-13,15-17H2,1-3H3