1-[(4-methylphenyl)sulfonylmethyl]-4-(4-nitrophenyl)sulfanyl-3-propyl-azetidin-2-one

Systemtic Name: 1-[(4-methylphenyl)sulfonylmethyl]-4-(4-nitrophenyl)sulfanyl-3-propyl-azetidin-2-one Openeye Name: 4-(4-nitrophenyl)sulfanyl-3-propyl-1-(p-tolylsulfonylmethyl)azetidin-2-one CAS Name: 1-[(4-methylphenyl)sulfonylmethyl]-4-[(4-nitrophenyl)thio]-3-propyl-2-azetidinone IUPAC Name: 1-[(4-methylphenyl)sulfonylmethyl]-4-(4-nitrophenyl)sulfanyl-3-propylazetidin-2-one Traditional Name: 4-[(4-nitrophenyl)thio]-3-propyl-1-(tosylmethyl)azetidin-2-one Formula: C20H22N2O5S2 MolecularWeight: 434.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S2/c1-3-4-18-19(23)21(13-29(26,27)17-11-5-14(2)6-12-17)20(18)28-16-9-7-15(8-10-16)22(24)25/h5-12,18,20H,3-4,13H2,1-2H3