2-[4-(phenylmethyl)-1,4-diazocan-1-yl]-1,3-benzothiazole 1,1-dioxide

Systemtic Name: 2-[4-(phenylmethyl)-1,4-diazocan-1-yl]-1,3-benzothiazole 1,1-dioxide Openeye Name: 2-(4-benzyl-1,4-diazocan-1-yl)-1,3-benzothiazole 1,1-dioxide CAS Name: 2-[4-(phenylmethyl)-1,4-diazocan-1-yl]-1,3-benzothiazole 1,1-dioxide IUPAC Name: 2-(4-benzyl-1,4-diazocan-1-yl)-1,3-benzothiazole 1,1-dioxide Traditional Name: 2-(4-benzyl-1,4-diazocan-1-yl)-1,3-benzothiazole 1,1-dioxide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CCN(C1)CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCN(CCN(C1)CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H23N3O2S/c24-26(25)19-11-5-4-10-18(19)21-20(26)23-13-7-6-12-22(14-15-23)16-17-8-2-1-3-9-17/h1-5,8-11H,6-7,12-16H2