4-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(4-isobutylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(4-isobutylphenyl)sulfonylpiperazino]-4-keto-butyrate Formula: C18H25N2O5S- MolecularWeight: 381.4665

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H26N2O5S/c1-14(2)13-15-3-5-16(6-4-15)26(24,25)20-11-9-19(10-12-20)17(21)7-8-18(22)23/h3-6,14H,7-13H2,1-2H3,(H,22,23)/p-1