1-[1-(2-fluorophenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-[1-(2-fluorophenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: [1-(2-fluorophenyl)-3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propyl]urea CAS Name: [1-(2-fluorophenyl)-3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: [1-(2-fluorophenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]urea Traditional Name: [1-(2-fluorophenyl)-3-keto-3-(4-tosylpiperazino)propyl]urea Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3F)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3F)NC(=O)N

InChI

InChI=1S/C21H25FN4O4S/c1-15-6-8-16(9-7-15)31(29,30)26-12-10-25(11-13-26)20(27)14-19(24-21(23)28)17-4-2-3-5-18(17)22/h2-9,19H,10-14H2,1H3,(H3,23,24,28)