2-[3-chloranyl-4-[1-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-4-yl]oxy-phenyl]-2-sulfamoyl-ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[1-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-4-yl]oxy-phenyl]-2-sulfamoyl-ethanoic acid Openeye Name: 2-[3-chloro-4-[[1-(3,4-dihydro-2H-pyrrol-5-yl)-4-piperidyl]oxy]phenyl]-2-sulfamoyl-acetic acid CAS Name: 2-[3-chloro-4-[[1-(3,4-dihydro-2H-pyrrol-5-yl)-4-piperidinyl]oxy]phenyl]-2-sulfamoylacetic acid IUPAC Name: 2-[3-chloro-4-[1-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-4-yl]oxyphenyl]-2-sulfamoylacetic acid Traditional Name: 2-[3-chloro-4-[[1-(1-pyrrolin-2-yl)-4-piperidyl]oxy]phenyl]-2-sulfamoyl-acetic acid Formula: C17H22ClN3O5S MolecularWeight: 415.89168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)N2CCC(CC2)OC3=C(C=C(C=C3)C(C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1CC(=NC1)N2CCC(CC2)OC3=C(C=C(C=C3)C(C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C17H22ClN3O5S/c18-13-10-11(16(17(22)23)27(19,24)25)3-4-14(13)26-12-5-8-21(9-6-12)15-2-1-7-20-15/h3-4,10,12,16H,1-2,5-9H2,(H,22,23)(H2,19,24,25)