2-[(4-butylphenyl)sulfonyl-[4-(4-oxidanylidenepiperidin-1-yl)phenyl]amino]ethanoic acid

Systemtic Name: 2-[(4-butylphenyl)sulfonyl-[4-(4-oxidanylidenepiperidin-1-yl)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(4-butylphenyl)sulfonyl-4-(4-oxo-1-piperidyl)anilino]acetic acid CAS Name: 2-[N-(4-butylphenyl)sulfonyl-4-(4-oxo-1-piperidinyl)anilino]acetic acid IUPAC Name: 2-[N-(4-butylphenyl)sulfonyl-4-(4-oxopiperidin-1-yl)anilino]acetic acid Traditional Name: 2-[N-(4-butylphenyl)sulfonyl-4-(4-ketopiperidino)anilino]acetic acid Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)N3CCC(=O)CC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)N3CCC(=O)CC3

InChI

InChI=1S/C23H28N2O5S/c1-2-3-4-18-5-11-22(12-6-18)31(29,30)25(17-23(27)28)20-9-7-19(8-10-20)24-15-13-21(26)14-16-24/h5-12H,2-4,13-17H2,1H3,(H,27,28)