2-[(4-fluorophenyl)sulfonylamino]-3-methyl-butanoic acid; piperazine-1-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)sulfonylamino]-3-methyl-butanoic acid; piperazine-1-carboxamide Openeye Name: 2-[(4-fluorophenyl)sulfonylamino]-3-methyl-butanoic acid; piperazine-1-carboxamide CAS Name: 2-[(4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid; 1-piperazinecarboxamide IUPAC Name: 2-[(4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid; piperazine-1-carboxamide Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]-3-methyl-butyric acid; piperazine-1-carboxamide Formula: C16H25FN4O5S MolecularWeight: 404.456903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)F.C1CN(CCN1)C(=O)N

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)F.C1CN(CCN1)C(=O)N

InChI

InChI=1S/C11H14FNO4S.C5H11N3O/c1-7(2)10(11(14)15)13-18(16,17)9-5-3-8(12)4-6-9;6-5(9)8-3-1-7-2-4-8/h3-7,10,13H,1-2H3,(H,14,15);7H,1-4H2,(H2,6,9)