1-(4-bromophenyl)-3-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]urea

Systemtic Name: 1-(4-bromophenyl)-3-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]urea Openeye Name: 1-(4-bromophenyl)-3-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]urea CAS Name: 1-(4-bromophenyl)-3-[[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]amino]urea IUPAC Name: 1-(4-bromophenyl)-3-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]urea Traditional Name: 1-(4-bromophenyl)-3-[(1-mesitylsulfonylisonipecotoyl)amino]urea Formula: C22H27BrN4O4S MolecularWeight: 523.44318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)NC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H27BrN4O4S/c1-14-12-15(2)20(16(3)13-14)32(30,31)27-10-8-17(9-11-27)21(28)25-26-22(29)24-19-6-4-18(23)5-7-19/h4-7,12-13,17H,8-11H2,1-3H3,(H,25,28)(H2,24,26,29)