2-[4-(3-cyanopropylsulfonyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(3-cyanopropylsulfonyl)phenyl]ethanoic acid Openeye Name: 2-[4-(3-cyanopropylsulfonyl)phenyl]acetic acid CAS Name: 2-[4-(3-cyanopropylsulfonyl)phenyl]acetic acid IUPAC Name: 2-[4-(3-cyanopropylsulfonyl)phenyl]acetic acid Traditional Name: 2-[4-(3-cyanopropylsulfonyl)phenyl]acetic acid Formula: C12H13NO4S MolecularWeight: 267.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CCCC#N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)S(=O)(=O)CCCC#N

InChI

InChI=1S/C12H13NO4S/c13-7-1-2-8-18(16,17)11-5-3-10(4-6-11)9-12(14)15/h3-6H,1-2,8-9H2,(H,14,15)