4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole

Systemtic Name: 4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-[4-(4-tert-butylbenzyl)piperazino]sulfonylbenzofurazan Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C21H26N4O3S/c1-21(2,3)17-9-7-16(8-10-17)15-24-11-13-25(14-12-24)29(26,27)19-6-4-5-18-20(19)23-28-22-18/h4-10H,11-15H2,1-3H3