2-[butyl-[4-(2-cyanoethylsulfonyl)phenyl]amino]ethanoic acid

Systemtic Name: 2-[butyl-[4-(2-cyanoethylsulfonyl)phenyl]amino]ethanoic acid Openeye Name: 2-[N-butyl-4-(2-cyanoethylsulfonyl)anilino]acetic acid CAS Name: 2-[N-butyl-4-(2-cyanoethylsulfonyl)anilino]acetic acid IUPAC Name: 2-[N-butyl-4-(2-cyanoethylsulfonyl)anilino]acetic acid Traditional Name: 2-[N-butyl-4-(2-cyanoethylsulfonyl)anilino]acetic acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)CCC#N

Isomeric SMILES

CCCCN(CC(=O)O)C1=CC=C(C=C1)S(=O)(=O)CCC#N

InChI

InChI=1S/C15H20N2O4S/c1-2-3-10-17(12-15(18)19)13-5-7-14(8-6-13)22(20,21)11-4-9-16/h5-8H,2-4,10-12H2,1H3,(H,18,19)