4-[(3-methylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: 4-[(3-methylsulfonylphenyl)carbonylamino]butanoate Openeye Name: 4-[(3-methylsulfonylbenzoyl)amino]butanoate CAS Name: 4-[[(3-methylsulfonylphenyl)-oxomethyl]amino]butanoate IUPAC Name: 4-[(3-methylsulfonylbenzoyl)amino]butanoate Traditional Name: 4-[(3-mesylbenzoyl)amino]butyrate Formula: C12H14NO5S- MolecularWeight: 284.30826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-19(17,18)10-5-2-4-9(8-10)12(16)13-7-3-6-11(14)15/h2,4-5,8H,3,6-7H2,1H3,(H,13,16)(H,14,15)/p-1