1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ylpropyl)urea

Systemtic Name: 1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ylpropyl)urea Openeye Name: 1-[(3-fluorophenyl)methyl]-1-(3-morpholinopropyl)-3-(p-tolylsulfonyl)urea CAS Name: 1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonyl-1-[3-(4-morpholinyl)propyl]urea IUPAC Name: 1-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonyl-1-(3-morpholin-4-ylpropyl)urea Traditional Name: 1-(3-fluorobenzyl)-1-(3-morpholinopropyl)-3-tosyl-urea Formula: C22H28FN3O4S MolecularWeight: 449.538823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCCN2CCOCC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCCN2CCOCC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H28FN3O4S/c1-18-6-8-21(9-7-18)31(28,29)24-22(27)26(17-19-4-2-5-20(23)16-19)11-3-10-25-12-14-30-15-13-25/h2,4-9,16H,3,10-15,17H2,1H3,(H,24,27)