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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methoxy-benzamide Formula: C21H22FN3O4S2 MolecularWeight: 463.545483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)F)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H22FN3O4S2/c1-29-17-9-6-14(12-19(17)31(27,28)25-10-4-2-3-5-11-25)20(26)24-21-23-16-8-7-15(22)13-18(16)30-21/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,24,26)