(2S,3S)-2-ethyl-3-[[(4-nitrophenyl)sulfonylamino]methyl]butanedioic acid

Systemtic Name: (2S,3S)-2-ethyl-3-[[(4-nitrophenyl)sulfonylamino]methyl]butanedioic acid Openeye Name: (2S,3S)-2-ethyl-3-[[(4-nitrophenyl)sulfonylamino]methyl]butanedioic acid CAS Name: (2S,3S)-2-ethyl-3-[[(4-nitrophenyl)sulfonylamino]methyl]butanedioic acid IUPAC Name: (2S,3S)-2-ethyl-3-[[(4-nitrophenyl)sulfonylamino]methyl]butanedioic acid Traditional Name: (2S,3S)-2-ethyl-3-[(nosylamino)methyl]succinic acid Formula: C13H16N2O8S MolecularWeight: 360.33974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CC[C@@H]([C@@H](CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C13H16N2O8S/c1-2-10(12(16)17)11(13(18)19)7-14-24(22,23)9-5-3-8(4-6-9)15(20)21/h3-6,10-11,14H,2,7H2,1H3,(H,16,17)(H,18,19)/t10-,11+/m0/s1