4-(3,5-dimethylpiperidin-1-yl)sulfonyl-7-(4-ethoxyphenyl)sulfanyl-2,1,3-benzoxadiazole

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-7-(4-ethoxyphenyl)sulfanyl-2,1,3-benzoxadiazole Openeye Name: 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-7-(4-ethoxyphenyl)sulfanyl-2,1,3-benzoxadiazole CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-7-[(4-ethoxyphenyl)thio]-2,1,3-benzoxadiazole IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-7-(4-ethoxyphenyl)sulfanyl-2,1,3-benzoxadiazole Traditional Name: 4-(3,5-dimethylpiperidino)sulfonyl-7-(p-phenetylthio)benzofurazan Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC2=CC=C(C3=NON=C23)S(=O)(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2=CC=C(C3=NON=C23)S(=O)(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C21H25N3O4S2/c1-4-27-16-5-7-17(8-6-16)29-18-9-10-19(21-20(18)22-28-23-21)30(25,26)24-12-14(2)11-15(3)13-24/h5-10,14-15H,4,11-13H2,1-3H3