[4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]sulfamoylcarbamic acid

Systemtic Name: [4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]sulfamoylcarbamic acid Openeye Name: [4-(3-methoxyphenyl)-1-pyrimidin-2-yl-4-piperidyl]sulfamoylcarbamic acid CAS Name: [4-(3-methoxyphenyl)-1-(2-pyrimidinyl)-4-piperidinyl]sulfamoylcarbamic acid IUPAC Name: [4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidin-4-yl]sulfamoylcarbamic acid Traditional Name: [4-(3-methoxyphenyl)-1-(2-pyrimidyl)-4-piperidyl]sulfamoylcarbamic acid Formula: C17H21N5O5S MolecularWeight: 407.44414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)NS(=O)(=O)NC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)NS(=O)(=O)NC(=O)O

InChI

InChI=1S/C17H21N5O5S/c1-27-14-5-2-4-13(12-14)17(21-28(25,26)20-16(23)24)6-10-22(11-7-17)15-18-8-3-9-19-15/h2-5,8-9,12,20-21H,6-7,10-11H2,1H3,(H,23,24)