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

Systemtic Name: 2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonyl-amino]propanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(2-thienylsulfonyl)amino]propanoic acid CAS Name: 2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid IUPAC Name: 2-[(4-nitrophenyl)methyl-thiophen-2-ylsulfonylamino]propanoic acid Traditional Name: 2-[(4-nitrobenzyl)-(2-thienylsulfonyl)amino]propionic acid Formula: C14H14N2O6S2 MolecularWeight: 370.40076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C14H14N2O6S2/c1-10(14(17)18)15(24(21,22)13-3-2-8-23-13)9-11-4-6-12(7-5-11)16(19)20/h2-8,10H,9H2,1H3,(H,17,18)