2-[[4-[2-(4-nitrophenyl)sulfanylethanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(4-nitrophenyl)sulfanylethanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[2-[(4-nitrophenyl)thio]acetyl]amino]phenyl]sulfonylamino]acetic acid Formula: C16H15N3O7S2 MolecularWeight: 425.4362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C16H15N3O7S2/c20-15(10-27-13-5-3-12(4-6-13)19(23)24)18-11-1-7-14(8-2-11)28(25,26)17-9-16(21)22/h1-8,17H,9-10H2,(H,18,20)(H,21,22)