4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-(4-nitrophenyl)sulfonyl-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(5-nosyl-1,3,4-thiadiazol-2-yl)amino]butyric acid Formula: C12H10N4O7S2 MolecularWeight: 386.3604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=NN=C(S2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=NN=C(S2)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H10N4O7S2/c17-9(5-6-10(18)19)13-11-14-15-12(24-11)25(22,23)8-3-1-7(2-4-8)16(20)21/h1-4H,5-6H2,(H,18,19)(H,13,14,17)