4-[8-(methylsulfonylamino)-3-oxidanylidene-5,6-dihydrobenzo[h]cinnolin-2-yl]butanoic acid

Systemtic Name: 4-[8-(methylsulfonylamino)-3-oxidanylidene-5,6-dihydrobenzo[h]cinnolin-2-yl]butanoic acid Openeye Name: 4-[8-(methanesulfonamido)-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl]butanoic acid CAS Name: 4-[8-(methanesulfonamido)-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl]butanoic acid IUPAC Name: 4-[8-(methanesulfonamido)-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl]butanoic acid Traditional Name: 4-[3-keto-8-(methanesulfonamido)-5,6-dihydrobenzo[h]cinnolin-2-yl]butyric acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(C=C1)C3=NN(C(=O)C=C3CC2)CCCC(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)C3=NN(C(=O)C=C3CC2)CCCC(=O)O

InChI

InChI=1S/C17H19N3O5S/c1-26(24,25)19-13-6-7-14-11(9-13)4-5-12-10-15(21)20(18-17(12)14)8-2-3-16(22)23/h6-7,9-10,19H,2-5,8H2,1H3,(H,22,23)