1-(azepan-1-yl)-3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propan-1-one CAS Name: 1-(1-azepanyl)-3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-piazthiol-4-ylsulfonyl-propan-1-one Formula: C15H19N3O3S2 MolecularWeight: 353.45966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C15H19N3O3S2/c19-14(18-9-3-1-2-4-10-18)8-11-23(20,21)13-7-5-6-12-15(13)17-22-16-12/h5-7H,1-4,8-11H2