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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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