2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonyl-4,6-bis(chloranyl)phenol

Systemtic Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonyl-4,6-bis(chloranyl)phenol Openeye Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonyl-4,6-dichloro-phenol CAS Name: 2-[[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]sulfonyl]-4,6-dichlorophenol IUPAC Name: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonyl-4,6-dichlorophenol Traditional Name: 2-[4-(4-tert-butylbenzyl)piperazino]sulfonyl-4,6-dichloro-phenol Formula: C21H26Cl2N2O3S MolecularWeight: 457.41374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3O)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3O)Cl)Cl

InChI

InChI=1S/C21H26Cl2N2O3S/c1-21(2,3)16-6-4-15(5-7-16)14-24-8-10-25(11-9-24)29(27,28)19-13-17(22)12-18(23)20(19)26/h4-7,12-13,26H,8-11,14H2,1-3H3