2,1,3-benzoxadiazol-5-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 2,1,3-benzoxadiazol-5-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 2,1,3-benzoxadiazol-5-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 2,1,3-benzoxadiazol-5-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 2,1,3-benzoxadiazol-5-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: benzofurazan-5-yl-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=NON=C4C=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=NON=C4C=C3

InChI

InChI=1S/C20H22N4O4S/c1-29(26,27)17-6-3-15(4-7-17)14-23-9-2-10-24(12-11-23)20(25)16-5-8-18-19(13-16)22-28-21-18/h3-8,13H,2,9-12,14H2,1H3