[2-(4-nitrophenyl)sulfinyl-4-oxidanylidene-3-propyl-azetidin-1-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-(4-nitrophenyl)sulfinyl-4-oxidanylidene-3-propyl-azetidin-1-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(4-nitrophenyl)sulfinyl-4-oxo-3-propyl-azetidin-1-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-nitrophenyl)sulfinyl-4-oxo-3-propyl-1-azetidinyl]methyl ester IUPAC Name: [2-(4-nitrophenyl)sulfinyl-4-oxo-3-propylazetidin-1-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-4-(4-nitrophenyl)sulfinyl-3-propyl-azetidin-1-yl]methyl ester Formula: C20H22N2O7S2 MolecularWeight: 466.52788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(N(C1=O)COS(=O)(=O)C2=CC=C(C=C2)C)S(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1C(N(C1=O)COS(=O)(=O)C2=CC=C(C=C2)C)S(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S2/c1-3-4-18-19(23)21(13-29-31(27,28)17-11-5-14(2)6-12-17)20(18)30(26)16-9-7-15(8-10-16)22(24)25/h5-12,18,20H,3-4,13H2,1-2H3