2-[(3-nitrophenyl)methylsulfonyl-(3-oxidanylpropyl)amino]ethanethioamide

Systemtic Name: 2-[(3-nitrophenyl)methylsulfonyl-(3-oxidanylpropyl)amino]ethanethioamide Openeye Name: 2-[3-hydroxypropyl-[(3-nitrophenyl)methylsulfonyl]amino]thioacetamide CAS Name: 2-[3-hydroxypropyl-[(3-nitrophenyl)methylsulfonyl]amino]ethanethioamide IUPAC Name: 2-[3-hydroxypropyl-[(3-nitrophenyl)methylsulfonyl]amino]ethanethioamide Traditional Name: 2-[3-hydroxypropyl-(3-nitrobenzyl)sulfonyl-amino]thioacetamide Formula: C12H17N3O5S2 MolecularWeight: 347.41048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)N(CCCO)CC(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)N(CCCO)CC(=S)N

InChI

InChI=1S/C12H17N3O5S2/c13-12(21)8-14(5-2-6-16)22(19,20)9-10-3-1-4-11(7-10)15(17)18/h1,3-4,7,16H,2,5-6,8-9H2,(H2,13,21)