5-tert-butyl-3-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]benzene-1,2-diol

Systemtic Name: 5-tert-butyl-3-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]benzene-1,2-diol Openeye Name: 5-tert-butyl-3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]methyl]benzene-1,2-diol CAS Name: 5-tert-butyl-3-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]methyl]benzene-1,2-diol IUPAC Name: 5-tert-butyl-3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]benzene-1,2-diol Traditional Name: 5-tert-butyl-3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]methyl]pyrocatechol Formula: C19H25ClN2O4S2 MolecularWeight: 444.9958

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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=C(S3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H25ClN2O4S2/c1-19(2,3)14-10-13(18(24)15(23)11-14)12-21-6-8-22(9-7-21)28(25,26)17-5-4-16(20)27-17/h4-5,10-11,23-24H,6-9,12H2,1-3H3