4-(4-cyanophenyl)azanidylsulfonylbutanoate

Systemtic Name: 4-(4-cyanophenyl)azanidylsulfonylbutanoate Openeye Name: 4-(4-cyanophenyl)azanidylsulfonylbutanoate CAS Name: 4-(4-cyanophenyl)azanidylsulfonylbutanoate IUPAC Name: 4-(4-cyanophenyl)azanidylsulfonylbutanoate Traditional Name: 4-(4-cyanophenyl)azanidylsulfonylbutyrate Formula: C11H10N2O4S-2 MolecularWeight: 266.2731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)[N-]S(=O)(=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)[N-]S(=O)(=O)CCCC(=O)[O-]

InChI

InChI=1S/C11H12N2O4S/c12-8-9-3-5-10(6-4-9)13-18(16,17)7-1-2-11(14)15/h3-6,12H,1-2,7H2,(H,14,15)/p-2