4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole

Systemtic Name: 4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole Openeye Name: 4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole Traditional Name: 4-[[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]sulfonyl]piazthiole Formula: C19H22N4O4S3 MolecularWeight: 466.59738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H22N4O4S3/c1-29(24,25)16-8-6-15(7-9-16)14-22-10-3-11-23(13-12-22)30(26,27)18-5-2-4-17-19(18)21-28-20-17/h2,4-9H,3,10-14H2,1H3