1-(piperidin-4-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea

Systemtic Name: 1-(piperidin-4-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea Openeye Name: 1-(4-piperidylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea CAS Name: 1-(4-piperidinylmethyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]urea IUPAC Name: 1-(piperidin-4-ylmethyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea Traditional Name: 1-(4-piperidylmethyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]urea Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C1CNCCC1CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C17H22N6O3S/c24-17(21-12-13-6-10-18-11-7-13)22-14-2-4-15(5-3-14)27(25,26)23-16-19-8-1-9-20-16/h1-5,8-9,13,18H,6-7,10-12H2,(H,19,20,23)(H2,21,22,24)