2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(2-thienylsulfonyl)amino]acetic acid CAS Name: 2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetic acid IUPAC Name: 2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]acetic acid Traditional Name: 2-[(4-nitrobenzyl)-(2-thienylsulfonyl)amino]acetic acid Formula: C13H12N2O6S2 MolecularWeight: 356.37418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C13H12N2O6S2/c16-12(17)9-14(23(20,21)13-2-1-7-22-13)8-10-3-5-11(6-4-10)15(18)19/h1-7H,8-9H2,(H,16,17)