1-(4-bromophenyl)-3-[(1-propylsulfonyl-4-pyridin-2-yl-piperidin-4-yl)methyl]urea

Systemtic Name: 1-(4-bromophenyl)-3-[(1-propylsulfonyl-4-pyridin-2-yl-piperidin-4-yl)methyl]urea Openeye Name: 1-(4-bromophenyl)-3-[[1-propylsulfonyl-4-(2-pyridyl)-4-piperidyl]methyl]urea CAS Name: 1-(4-bromophenyl)-3-[[1-propylsulfonyl-4-(2-pyridinyl)-4-piperidinyl]methyl]urea IUPAC Name: 1-(4-bromophenyl)-3-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]urea Traditional Name: 1-(4-bromophenyl)-3-[[1-propylsulfonyl-4-(2-pyridyl)-4-piperidyl]methyl]urea Formula: C21H27BrN4O3S MolecularWeight: 495.43308

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)(CNC(=O)NC2=CC=C(C=C2)Br)C3=CC=CC=N3

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)(CNC(=O)NC2=CC=C(C=C2)Br)C3=CC=CC=N3

InChI

InChI=1S/C21H27BrN4O3S/c1-2-15-30(28,29)26-13-10-21(11-14-26,19-5-3-4-12-23-19)16-24-20(27)25-18-8-6-17(22)7-9-18/h3-9,12H,2,10-11,13-16H2,1H3,(H2,24,25,27)