2-[[3-(5-piperidin-1-ylcarbonylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[3-(5-piperidin-1-ylcarbonylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[3-[5-(piperidine-1-carbonylsulfanyl)tetrazol-1-yl]phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[3-[5-[[oxo(1-piperidinyl)methyl]thio]-1-tetrazolyl]anilino]methyl]benzenesulfonic acid IUPAC Name: 2-[[3-[5-(piperidine-1-carbonylsulfanyl)tetrazol-1-yl]phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[3-[5-(piperidine-1-carbonylthio)tetrazol-1-yl]phenyl]carbamoyl]besylic acid Formula: C20H20N6O5S2 MolecularWeight: 488.54

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)SC2=NN=NN2C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)SC2=NN=NN2C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O

InChI

InChI=1S/C20H20N6O5S2/c27-18(16-9-2-3-10-17(16)33(29,30)31)21-14-7-6-8-15(13-14)26-19(22-23-24-26)32-20(28)25-11-4-1-5-12-25/h2-3,6-10,13H,1,4-5,11-12H2,(H,21,27)(H,29,30,31)