2-[(3-methoxyphenyl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(3-methoxyphenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(3-methoxybenzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(3-methoxyphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3-methoxybenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-(m-anisoylamino)-4-mesyl-butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-20-10-5-3-4-9(8-10)12(15)14-11(13(16)17)6-7-21(2,18)19/h3-5,8,11H,6-7H2,1-2H3,(H,14,15)(H,16,17)