1-[(3-fluorophenyl)methyl]-1-methyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea

Systemtic Name: 1-[(3-fluorophenyl)methyl]-1-methyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Openeye Name: 1-[(3-fluorophenyl)methyl]-1-methyl-3-[[4-(1-piperidylsulfonyl)phenyl]methyl]urea CAS Name: 1-[(3-fluorophenyl)methyl]-1-methyl-3-[[4-(1-piperidinylsulfonyl)phenyl]methyl]urea IUPAC Name: 1-[(3-fluorophenyl)methyl]-1-methyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Traditional Name: 1-(3-fluorobenzyl)-1-methyl-3-(4-piperidinosulfonylbenzyl)urea Formula: C21H26FN3O3S MolecularWeight: 419.512843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26FN3O3S/c1-24(16-18-6-5-7-19(22)14-18)21(26)23-15-17-8-10-20(11-9-17)29(27,28)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,26)