1-(phenylsulfonyl)pyrrolidine-2-carboxylic acid; piperazine-1-carboxamide

Systemtic Name: 1-(phenylsulfonyl)pyrrolidine-2-carboxylic acid; piperazine-1-carboxamide Openeye Name: 1-(benzenesulfonyl)pyrrolidine-2-carboxylic acid; piperazine-1-carboxamide CAS Name: 1-(benzenesulfonyl)-2-pyrrolidinecarboxylic acid; 1-piperazinecarboxamide IUPAC Name: 1-(benzenesulfonyl)pyrrolidine-2-carboxylic acid; piperazine-1-carboxamide Traditional Name: 1-besylproline; piperazine-1-carboxamide Formula: C16H24N4O5S MolecularWeight: 384.45056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)O.C1CN(CCN1)C(=O)N

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)O.C1CN(CCN1)C(=O)N

InChI

InChI=1S/C11H13NO4S.C5H11N3O/c13-11(14)10-7-4-8-12(10)17(15,16)9-5-2-1-3-6-9;6-5(9)8-3-1-7-2-4-8/h1-3,5-6,10H,4,7-8H2,(H,13,14);7H,1-4H2,(H2,6,9)