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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]urea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]urea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]urea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea Traditional Name: 1-(4-fluorobenzyl)-3-[2-keto-2-(4-tosylpiperazino)ethyl]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)CNC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)NCC3=CC=C(C=C3)F

InChI

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