2-[4-(3-methyl-2-oxidanyl-6-propan-2-yl-phenyl)sulfonylpiperazin-1-yl]benzenesulfinate

Systemtic Name: 2-[4-(3-methyl-2-oxidanyl-6-propan-2-yl-phenyl)sulfonylpiperazin-1-yl]benzenesulfinate Openeye Name: 2-[4-(2-hydroxy-6-isopropyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]benzenesulfinate CAS Name: 2-[4-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)sulfonyl-1-piperazinyl]benzenesulfinate IUPAC Name: 2-[4-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzenesulfinate Traditional Name: 2-[4-(2-hydroxy-6-isopropyl-3-methyl-phenyl)sulfonylpiperazino]benzenesulfinate Formula: C20H25N2O5S2- MolecularWeight: 437.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3S(=O)[O-])O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3S(=O)[O-])O

InChI

InChI=1S/C20H26N2O5S2/c1-14(2)16-9-8-15(3)19(23)20(16)29(26,27)22-12-10-21(11-13-22)17-6-4-5-7-18(17)28(24)25/h4-9,14,23H,10-13H2,1-3H3,(H,24,25)/p-1