2-azanyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-2-(phenylcarbonyl)pentanoic acid

Systemtic Name: 2-azanyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-2-(phenylcarbonyl)pentanoic acid Openeye Name: 2-amino-2-benzoyl-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid CAS Name: 2-amino-2-benzoyl-5-[(5-methyl-2-nitrophenyl)thio]oxypentanoic acid IUPAC Name: 2-amino-2-benzoyl-5-(5-methyl-2-nitrophenyl)sulfanyloxypentanoic acid Traditional Name: 2-amino-2-benzoyl-5-[(5-methyl-2-nitro-phenyl)thio]oxy-valeric acid Formula: C19H20N2O6S MolecularWeight: 404.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)C2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)C2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C19H20N2O6S/c1-13-8-9-15(21(25)26)16(12-13)28-27-11-5-10-19(20,18(23)24)17(22)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,20H2,1H3,(H,23,24)