N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-pyrrolidinosulfonyl-benzamide Formula: C24H20F2N4O3S2 MolecularWeight: 514.567406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=N3)C4=NC5=C(C=C(C=C5S4)F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=N3)C4=NC5=C(C=C(C=C5S4)F)F

InChI

InChI=1S/C24H20F2N4O3S2/c25-17-13-20(26)22-21(14-17)34-24(28-22)30(15-18-5-1-2-10-27-18)23(31)16-6-8-19(9-7-16)35(32,33)29-11-3-4-12-29/h1-2,5-10,13-14H,3-4,11-12,15H2