(E)-3-[4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[4-(4-tert-butylphenyl)sulfonylpiperazino]sulfonylphenyl]acrylic acid Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C=CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)O

InChI

InChI=1S/C23H28N2O6S2/c1-23(2,3)19-7-11-21(12-8-19)33(30,31)25-16-14-24(15-17-25)32(28,29)20-9-4-18(5-10-20)6-13-22(26)27/h4-13H,14-17H2,1-3H3,(H,26,27)/b13-6+