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

Systemtic Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine Openeye Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1-isoxazol-5-yl-N-methyl-methanamine CAS Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-1-(5-isoxazolyl)-N-methylmethanamine IUPAC Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-(isoxazol-5-ylmethyl)-methyl-amine Formula: C20H26N4O3S MolecularWeight: 402.51044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-3-28(25,26)20-21-14-18(15-23(2)16-19-11-12-22-27-19)24(20)13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,3,7,10,13,15-16H2,1-2H3