3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-N-(2-fluorophenyl)benzenesulfonamide

Systemtic Name: 3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-N-(2-fluorophenyl)benzenesulfonamide Openeye Name: 3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide CAS Name: 3-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-N-(2-fluorophenyl)benzenesulfonamide IUPAC Name: 3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide Traditional Name: 3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide Formula: C25H22FN3O3S2 MolecularWeight: 495.588883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3F)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3F)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22FN3O3S2/c26-20-10-1-2-11-21(20)28-34(31,32)19-9-5-7-17(15-19)25(30)29-14-6-8-18(16-29)24-27-22-12-3-4-13-23(22)33-24/h1-5,7,9-13,15,18,28H,6,8,14,16H2/t18-/m0/s1