2-[[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]sulfonylamino]-2-(3-propan-2-ylphenoxy)butanoic acid

Systemtic Name: 2-[[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]sulfonylamino]-2-(3-propan-2-ylphenoxy)butanoic acid Openeye Name: 2-[[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]sulfonylamino]-2-(3-isopropylphenoxy)butanoic acid CAS Name: 2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]sulfonylamino]-2-(3-propan-2-ylphenoxy)butanoic acid IUPAC Name: 2-[[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]sulfonylamino]-2-(3-propan-2-ylphenoxy)butanoic acid Traditional Name: 2-[[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]sulfonylamino]-2-(3-isopropylphenoxy)butyric acid Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)(NS(=O)(=O)C1=CC(=C(N)N)C=CC1=O)OC2=CC=CC(=C2)C(C)C

Isomeric SMILES

CCC(C(=O)O)(NS(=O)(=O)C1=CC(=C(N)N)C=CC1=O)OC2=CC=CC(=C2)C(C)C

InChI

InChI=1S/C20H25N3O6S/c1-4-20(19(25)26,29-15-7-5-6-13(10-15)12(2)3)23-30(27,28)17-11-14(18(21)22)8-9-16(17)24/h5-12,23H,4,21-22H2,1-3H3,(H,25,26)