4-(azepan-1-ylsulfonyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide Formula: C26H25FN4O3S2 MolecularWeight: 524.630103

Click to see the large picture

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(S4)C=C(C=C5)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=N3)C4=NC5=C(S4)C=C(C=C5)F

InChI

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