N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine

Systemtic Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine Openeye Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(3-methylisoxazol-5-yl)methanamine CAS Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-N-methyl-1-(3-methyl-5-isoxazolyl)methanamine IUPAC Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[(3-methylisoxazol-5-yl)methyl]amine Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN(C)CC3=CC(=NO3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN(C)CC3=CC(=NO3)C

InChI

InChI=1S/C21H28N4O3S/c1-4-29(26,27)21-22-14-19(15-24(3)16-20-13-17(2)23-28-20)25(21)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-14H,4,8,11-12,15-16H2,1-3H3