1-(1-adamantyl)-3-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]urea

Systemtic Name: 1-(1-adamantyl)-3-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]urea Openeye Name: 1-(1-adamantyl)-3-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]urea CAS Name: 1-(1-adamantyl)-3-[[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]urea IUPAC Name: 1-(1-adamantyl)-3-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]urea Traditional Name: 1-(1-adamantyl)-3-[(1-brosylisonipecotoyl)amino]urea Formula: C23H31BrN4O4S MolecularWeight: 539.48564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NNC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCC1C(=O)NNC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H31BrN4O4S/c24-19-1-3-20(4-2-19)33(31,32)28-7-5-18(6-8-28)21(29)26-27-22(30)25-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-18H,5-14H2,(H,26,29)(H2,25,27,30)