N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)-N-methyl-methanamine

Systemtic Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)-N-methyl-methanamine Openeye Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)-N-methyl-methanamine CAS Name: N-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)-N-methylmethanamine IUPAC Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-ethylsulfonyl-3-phenethylimidazol-4-yl)-N-methylmethanamine Traditional Name: (1,3-dimethylpyrazol-4-yl)methyl-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-methyl-amine Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN(C)CC3=CN(N=C3C)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN(C)CC3=CN(N=C3C)C

InChI

InChI=1S/C21H29N5O2S/c1-5-29(27,28)21-22-13-20(26(21)12-11-18-9-7-6-8-10-18)16-24(3)14-19-15-25(4)23-17(19)2/h6-10,13,15H,5,11-12,14,16H2,1-4H3