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

Systemtic Name: [2-(4-nitrophenyl)sulfanyl-4-oxidanylidene-3-propyl-azetidin-1-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(4-nitrophenyl)sulfanyl-4-oxo-3-propyl-azetidin-1-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(4-nitrophenyl)thio]-4-oxo-3-propyl-1-azetidinyl]methyl ester IUPAC Name: [2-(4-nitrophenyl)sulfanyl-4-oxo-3-propylazetidin-1-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-4-[(4-nitrophenyl)thio]-3-propyl-azetidin-1-yl]methyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(N(C1=O)COS(=O)(=O)C2=CC=C(C=C2)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1C(N(C1=O)COS(=O)(=O)C2=CC=C(C=C2)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S2/c1-3-4-18-19(23)21(13-28-30(26,27)17-11-5-14(2)6-12-17)20(18)29-16-9-7-15(8-10-16)22(24)25/h5-12,18,20H,3-4,13H2,1-2H3