2-[4-[[5-tert-butyl-2,3-bis(oxidanyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[5-tert-butyl-2,3-bis(oxidanyl)phenyl]methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(5-tert-butyl-2,3-dihydroxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-tert-butyl-2,3-dihydroxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(5-tert-butyl-2,3-dihydroxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-tert-butyl-2,3-dihydroxy-benzyl)piperazino]sulfonylbenzonitrile Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H27N3O4S/c1-22(2,3)18-12-17(21(27)19(26)13-18)15-24-8-10-25(11-9-24)30(28,29)20-7-5-4-6-16(20)14-23/h4-7,12-13,26-27H,8-11,15H2,1-3H3