tert-butyl 2-ethyl-4-[[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-azetidin-3-yl]methylamino]benzoate

Systemtic Name: tert-butyl 2-ethyl-4-[[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-azetidin-3-yl]methylamino]benzoate Openeye Name: tert-butyl 2-ethyl-4-[[2-oxo-1-(p-tolylsulfonyl)azetidin-3-yl]methylamino]benzoate CAS Name: 2-ethyl-4-[[1-(4-methylphenyl)sulfonyl-2-oxo-3-azetidinyl]methylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-ethyl-4-[[1-(4-methylphenyl)sulfonyl-2-oxoazetidin-3-yl]methylamino]benzoate Traditional Name: 2-ethyl-4-[(2-keto-1-tosyl-azetidin-3-yl)methylamino]benzoic acid tert-butyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-6-17-13-19(9-12-21(17)23(28)31-24(3,4)5)25-14-18-15-26(22(18)27)32(29,30)20-10-7-16(2)8-11-20/h7-13,18,25H,6,14-15H2,1-5H3