4-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H26N2O5S/c1-2-3-4-15-5-7-16(8-6-15)26(24,25)20-13-11-19(12-14-20)17(21)9-10-18(22)23/h5-8H,2-4,9-14H2,1H3,(H,22,23)/p-1