(2R)-2-acetamido-N-butyl-N-methyl-3-(3-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-butyl-N-methyl-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-N-butyl-N-methyl-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-2-acetamido-N-butyl-N-methyl-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-butyl-N-methyl-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-N-butyl-N-methyl-3-[(3-nitrophenyl)thio]propionamide Formula: C16H23N3O4S MolecularWeight: 353.43652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C(CSC1=CC=CC(=C1)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCCCN(C)C(=O)[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C16H23N3O4S/c1-4-5-9-18(3)16(21)15(17-12(2)20)11-24-14-8-6-7-13(10-14)19(22)23/h6-8,10,15H,4-5,9,11H2,1-3H3,(H,17,20)/t15-/m0/s1