4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonylpiperazino]-4-keto-butyric acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-18(2,3)14-4-6-15(7-5-14)26(24,25)20-12-10-19(11-13-20)16(21)8-9-17(22)23/h4-7H,8-13H2,1-3H3,(H,22,23)