3-methyl-2-(phenylsulfonylamino)butanoic acid; piperazine-1-carboxamide

Systemtic Name: 3-methyl-2-(phenylsulfonylamino)butanoic acid; piperazine-1-carboxamide Openeye Name: 2-(benzenesulfonamido)-3-methyl-butanoic acid; piperazine-1-carboxamide CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid; 1-piperazinecarboxamide IUPAC Name: 2-(benzenesulfonamido)-3-methylbutanoic acid; piperazine-1-carboxamide Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid; piperazine-1-carboxamide Formula: C16H26N4O5S MolecularWeight: 386.46644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S.C5H11N3O/c1-8(2)10(11(13)14)12-17(15,16)9-6-4-3-5-7-9;6-5(9)8-3-1-7-2-4-8/h3-8,10,12H,1-2H3,(H,13,14);7H,1-4H2,(H2,6,9)