2-[5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2-thienyl]acetic acid CAS Name: 2-[5-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophen-2-yl]acetic acid Traditional Name: 2-[5-[4-(4-tert-butylphenyl)sulfonylpiperazino]sulfonyl-2-thienyl]acetic acid Formula: C20H26N2O6S3 MolecularWeight: 486.62524

Click to see the large picture

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(S3)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)CC(=O)O

InChI

InChI=1S/C20H26N2O6S3/c1-20(2,3)15-4-7-17(8-5-15)30(25,26)21-10-12-22(13-11-21)31(27,28)19-9-6-16(29-19)14-18(23)24/h4-9H,10-14H2,1-3H3,(H,23,24)