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

Systemtic Name: 2-[butyl-[4-(cyanomethylsulfonyl)phenyl]amino]ethanoic acid Openeye Name: 2-[N-butyl-4-(cyanomethylsulfonyl)anilino]acetic acid CAS Name: 2-[N-butyl-4-(cyanomethylsulfonyl)anilino]acetic acid IUPAC Name: 2-[N-butyl-4-(cyanomethylsulfonyl)anilino]acetic acid Traditional Name: 2-[N-butyl-4-(cyanomethylsulfonyl)anilino]acetic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-2-3-9-16(11-14(17)18)12-4-6-13(7-5-12)21(19,20)10-8-15/h4-7H,2-3,9-11H2,1H3,(H,17,18)