2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoic acid; piperazine-1-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoic acid; piperazine-1-carboxamide Openeye Name: 2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propanoic acid; piperazine-1-carboxamide CAS Name: 2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid; 1-piperazinecarboxamide IUPAC Name: 2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid; piperazine-1-carboxamide Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]-3-phenyl-propionic acid; piperazine-1-carboxamide Formula: C20H25FN4O5S MolecularWeight: 452.499703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)N.C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CCN1)C(=O)N.C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H14FNO4S.C5H11N3O/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11;6-5(9)8-3-1-7-2-4-8/h1-9,14,17H,10H2,(H,18,19);7H,1-4H2,(H2,6,9)