4-(1,3-benzothiazol-2-ylsulfonyl)azepan-2-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfonyl)azepan-2-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfonyl)azepan-2-one CAS Name: 4-(1,3-benzothiazol-2-ylsulfonyl)-2-azepanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfonyl)azepan-2-one Traditional Name: 4-(1,3-benzothiazol-2-ylsulfonyl)azepan-2-one Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)NC1)S(=O)(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CC(CC(=O)NC1)S(=O)(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H14N2O3S2/c16-12-8-9(4-3-7-14-12)20(17,18)13-15-10-5-1-2-6-11(10)19-13/h1-2,5-6,9H,3-4,7-8H2,(H,14,16)