N-[2-(4-fluoranylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(4-fluoranylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(4-fluorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(4-fluorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(4-fluorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(4-fluorophenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C19H21FN4O6S MolecularWeight: 452.456643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)NCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21FN4O6S/c20-15-4-6-17(7-5-15)30-13-8-21-19(25)22-9-11-23(12-10-22)31(28,29)18-3-1-2-16(14-18)24(26)27/h1-7,14H,8-13H2,(H,21,25)