[1-(2-phenethylpiperidin-4-yl)-4-(sulfomethylamino)indazol-3-yl]methanesulfonic acid

Systemtic Name: [1-(2-phenethylpiperidin-4-yl)-4-(sulfomethylamino)indazol-3-yl]methanesulfonic acid Openeye Name: [1-(2-phenethyl-4-piperidyl)-4-(sulfomethylamino)indazol-3-yl]methanesulfonic acid CAS Name: [1-(2-phenethyl-4-piperidinyl)-4-(sulfomethylamino)-3-indazolyl]methanesulfonic acid IUPAC Name: [1-(2-phenethylpiperidin-4-yl)-4-(sulfomethylamino)indazol-3-yl]methanesulfonic acid Traditional Name: [1-(2-phenethyl-4-piperidyl)-4-(sulfomethylamino)indazol-3-yl]methanesulfonic acid Formula: C22H28N4O6S2 MolecularWeight: 508.61092

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CC1N2C3=C(C(=CC=C3)NCS(=O)(=O)O)C(=N2)CS(=O)(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

C1CNC(CC1N2C3=C(C(=CC=C3)NCS(=O)(=O)O)C(=N2)CS(=O)(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O6S2/c27-33(28,29)14-20-22-19(24-15-34(30,31)32)7-4-8-21(22)26(25-20)18-11-12-23-17(13-18)10-9-16-5-2-1-3-6-16/h1-8,17-18,23-24H,9-15H2,(H,27,28,29)(H,30,31,32)