1-[[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea

Systemtic Name: 1-[[4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonylphenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-[[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]-3-isopropyl-urea CAS Name: 1-[[4-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzyl]-3-isopropyl-urea Formula: C22H27FN4O4S MolecularWeight: 462.537583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C22H27FN4O4S/c1-16(2)25-22(29)24-15-17-6-8-18(9-7-17)21(28)26-10-12-27(13-11-26)32(30,31)20-5-3-4-19(23)14-20/h3-9,14,16H,10-13,15H2,1-2H3,(H2,24,25,29)