2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C21H22FN3O4S2 MolecularWeight: 463.545483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22FN3O4S2/c22-16-6-8-17(9-7-16)31(27,28)25-11-3-10-24(12-13-25)21(26)15-29-14-20-23-18-4-1-2-5-19(18)30-20/h1-2,4-9H,3,10-15H2