(E)-4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-(4-tert-butylphenyl)sulfonylpiperazino]-4-keto-but-2-enoic acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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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)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S/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/h4-9H,10-13H2,1-3H3,(H,22,23)/b9-8+