2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazino]-2-keto-ethyl]thio]acetic acid Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S2/c1-18(2,3)14-4-6-15(7-5-14)27(24,25)20-10-8-19(9-11-20)16(21)12-26-13-17(22)23/h4-7H,8-13H2,1-3H3,(H,22,23)