3-(azepan-1-yl)-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3-(azepan-1-yl)-1,2-benzothiazole 1,1-dioxide Openeye Name: 3-(azepan-1-yl)-1,2-benzothiazole 1,1-dioxide CAS Name: 3-(1-azepanyl)-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3-(azepan-1-yl)-1,2-benzothiazole 1,1-dioxide Traditional Name: 3-(azepan-1-yl)-1,2-benzothiazole 1,1-dioxide Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C13H16N2O2S/c16-18(17)12-8-4-3-7-11(12)13(14-18)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2