3-[[6-(4-cyanophenyl)-6-oxidanylidene-hexanoyl]amino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[6-(4-cyanophenyl)-6-oxidanylidene-hexanoyl]amino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[6-(4-cyanophenyl)-6-oxo-hexanoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[6-(4-cyanophenyl)-1,6-dioxohexyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[6-(4-cyanophenyl)-6-oxohexanoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[6-(4-cyanophenyl)-6-keto-hexanoyl]amino]propionic acid Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCCC(=O)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCCC(=O)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C22H23N3O6S/c23-14-16-10-12-17(13-11-16)20(26)8-4-5-9-21(27)24-15-19(22(28)29)25-32(30,31)18-6-2-1-3-7-18/h1-3,6-7,10-13,19,25H,4-5,8-9,15H2,(H,24,27)(H,28,29)