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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furfuryl)benzamide Formula: C25H24FN3O4S2 MolecularWeight: 513.604163

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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=CO3)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=CO3)C4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C25H24FN3O4S2/c26-19-9-12-22-23(16-19)34-25(27-22)29(17-20-6-5-15-33-20)24(30)18-7-10-21(11-8-18)35(31,32)28-13-3-1-2-4-14-28/h5-12,15-16H,1-4,13-14,17H2