(2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C22H22FN3O4S2 MolecularWeight: 475.556183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)F

InChI

InChI=1S/C22H22FN3O4S2/c23-19-10-9-16(13-20(19)32(28,29)26-11-5-2-6-12-26)21(27)30-14-18-15-31-22(25-18)24-17-7-3-1-4-8-17/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2,(H,24,25)