N-[(4-bromophenyl)methyl]-4-chloranyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-2,1,3-benzoxadiazole-7-sulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-4-chloranyl-N-[(3R)-2-oxidanylideneazepan-3-yl]-2,1,3-benzoxadiazole-7-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-4-chloro-N-[(3R)-2-oxoazepan-3-yl]-2,1,3-benzoxadiazole-7-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-4-chloro-N-[(3R)-2-oxo-3-azepanyl]-2,1,3-benzoxadiazole-7-sulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-4-chloro-N-[(3R)-2-oxoazepan-3-yl]-2,1,3-benzoxadiazole-7-sulfonamide Traditional Name: N-(4-bromobenzyl)-7-chloro-N-[(3R)-2-ketoazepan-3-yl]benzofurazan-4-sulfonamide Formula: C19H18BrClN4O4S MolecularWeight: 513.79262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C4=NON=C34)Cl

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C4=NON=C34)Cl

InChI

InChI=1S/C19H18BrClN4O4S/c20-13-6-4-12(5-7-13)11-25(15-3-1-2-10-22-19(15)26)30(27,28)16-9-8-14(21)17-18(16)24-29-23-17/h4-9,15H,1-3,10-11H2,(H,22,26)/t15-/m1/s1