4-[(2-cyanophenyl)methylsulfonylamino]butanoate

Systemtic Name: 4-[(2-cyanophenyl)methylsulfonylamino]butanoate Openeye Name: 4-[(2-cyanophenyl)methylsulfonylamino]butanoate CAS Name: 4-[(2-cyanophenyl)methylsulfonylamino]butanoate IUPAC Name: 4-[(2-cyanophenyl)methylsulfonylamino]butanoate Traditional Name: 4-[(2-cyanobenzyl)sulfonylamino]butyrate Formula: C12H13N2O4S- MolecularWeight: 281.30762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)NCCCC(=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)NCCCC(=O)[O-])C#N

InChI

InChI=1S/C12H14N2O4S/c13-8-10-4-1-2-5-11(10)9-19(17,18)14-7-3-6-12(15)16/h1-2,4-5,14H,3,6-7,9H2,(H,15,16)/p-1