4-(azepan-1-ylsulfonyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide Formula: C26H25FN4O3S2 MolecularWeight: 524.630103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=N3)C4=NC5=C(C=CC=C5S4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=N3)C4=NC5=C(C=CC=C5S4)F

InChI

InChI=1S/C26H25FN4O3S2/c27-22-9-7-10-23-24(22)29-26(35-23)31(18-20-8-3-4-15-28-20)25(32)19-11-13-21(14-12-19)36(33,34)30-16-5-1-2-6-17-30/h3-4,7-15H,1-2,5-6,16-18H2