2-[cyclopropylmethyl-(3-methylsulfonylphenyl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[cyclopropylmethyl-(3-methylsulfonylphenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[cyclopropylmethyl-(3-methylsulfonylbenzoyl)amino]acetic acid CAS Name: 2-[cyclopropylmethyl-[(3-methylsulfonylphenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[cyclopropylmethyl-(3-methylsulfonylbenzoyl)amino]acetic acid Traditional Name: 2-[cyclopropylmethyl-(3-mesylbenzoyl)amino]acetic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC2CC2)CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CC2CC2)CC(=O)O

InChI

InChI=1S/C14H17NO5S/c1-21(19,20)12-4-2-3-11(7-12)14(18)15(9-13(16)17)8-10-5-6-10/h2-4,7,10H,5-6,8-9H2,1H3,(H,16,17)