N-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-N-prop-2-ynyl-cyclohexanamine

Systemtic Name: N-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-N-prop-2-ynyl-cyclohexanamine Openeye Name: N-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-N-prop-2-ynyl-cyclohexanamine CAS Name: N-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-N-prop-2-ynylcyclohexanamine IUPAC Name: N-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-N-prop-2-ynylcyclohexanamine Traditional Name: cyclohexyl-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-propargyl-amine Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN(CC#C)C3CCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN(CC#C)C3CCCCC3

InChI

InChI=1S/C23H31N3O2S/c1-3-16-25(21-13-9-6-10-14-21)19-22-18-24-23(29(27,28)4-2)26(22)17-15-20-11-7-5-8-12-20/h1,5,7-8,11-12,18,21H,4,6,9-10,13-17,19H2,2H3