2-[3-chloranyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxy-phenyl]-2-sulfamoyl-ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxy-phenyl]-2-sulfamoyl-ethanoic acid Openeye Name: 2-[3-chloro-4-[(1-pyrimidin-2-yl-4-piperidyl)oxy]phenyl]-2-sulfamoyl-acetic acid CAS Name: 2-[3-chloro-4-[[1-(2-pyrimidinyl)-4-piperidinyl]oxy]phenyl]-2-sulfamoylacetic acid IUPAC Name: 2-[3-chloro-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxyphenyl]-2-sulfamoylacetic acid Traditional Name: 2-[3-chloro-4-[[1-(2-pyrimidyl)-4-piperidyl]oxy]phenyl]-2-sulfamoyl-acetic acid Formula: C17H19ClN4O5S MolecularWeight: 426.87456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C(C=C(C=C2)C(C(=O)O)S(=O)(=O)N)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1OC2=C(C=C(C=C2)C(C(=O)O)S(=O)(=O)N)Cl)C3=NC=CC=N3

InChI

InChI=1S/C17H19ClN4O5S/c18-13-10-11(15(16(23)24)28(19,25)26)2-3-14(13)27-12-4-8-22(9-5-12)17-20-6-1-7-21-17/h1-3,6-7,10,12,15H,4-5,8-9H2,(H,23,24)(H2,19,25,26)