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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide Formula: C26H33FN4O3S2 MolecularWeight: 532.693623

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H33FN4O3S2/c1-3-29(4-2)17-18-31(26-28-23-14-11-21(27)19-24(23)35-26)25(32)20-9-12-22(13-10-20)36(33,34)30-15-7-5-6-8-16-30/h9-14,19H,3-8,15-18H2,1-2H3