2-[(3-cyanophenyl)methylsulfonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(3-cyanophenyl)methylsulfonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(3-cyanophenyl)methylsulfonylamino]-3-methyl-pentanoic acid CAS Name: 2-[(3-cyanophenyl)methylsulfonylamino]-3-methylpentanoic acid IUPAC Name: 2-[(3-cyanophenyl)methylsulfonylamino]-3-methylpentanoic acid Traditional Name: 2-[(3-cyanobenzyl)sulfonylamino]-3-methyl-valeric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NS(=O)(=O)CC1=CC=CC(=C1)C#N

Isomeric SMILES

CCC(C)C(C(=O)O)NS(=O)(=O)CC1=CC=CC(=C1)C#N

InChI

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