N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methylacetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methyl-acetamide Formula: C22H25FN4O3S2 MolecularWeight: 476.587303

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CN3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CN3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN4O3S2/c1-25(15-21-24-19-5-2-3-6-20(19)31-21)22(28)16-26-11-4-12-27(14-13-26)32(29,30)18-9-7-17(23)8-10-18/h2-3,5-10H,4,11-16H2,1H3