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

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

Click to see the large picture

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)/p-1