2-ethyl-4-[[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-azetidin-3-yl]methylamino]benzoic acid

Systemtic Name: 2-ethyl-4-[[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-azetidin-3-yl]methylamino]benzoic acid Openeye Name: 2-ethyl-4-[[2-oxo-1-(p-tolylsulfonyl)azetidin-3-yl]methylamino]benzoic acid CAS Name: 2-ethyl-4-[[1-(4-methylphenyl)sulfonyl-2-oxo-3-azetidinyl]methylamino]benzoic acid IUPAC Name: 2-ethyl-4-[[1-(4-methylphenyl)sulfonyl-2-oxoazetidin-3-yl]methylamino]benzoic acid Traditional Name: 2-ethyl-4-[(2-keto-1-tosyl-azetidin-3-yl)methylamino]benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NCC2CN(C2=O)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)NCC2CN(C2=O)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-3-14-10-16(6-9-18(14)20(24)25)21-11-15-12-22(19(15)23)28(26,27)17-7-4-13(2)5-8-17/h4-10,15,21H,3,11-12H2,1-2H3,(H,24,25)