N-[2-(2-fluorophenyl)ethyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(2-fluorophenyl)ethyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(2-fluorophenyl)ethyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(2-fluorophenyl)ethyl]-4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(2-fluorophenyl)ethyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(2-fluorophenyl)ethyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide Formula: C20H23FN4O6S MolecularWeight: 466.483223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H23FN4O6S/c1-31-19-7-6-16(14-18(19)25(27)28)32(29,30)24-12-10-23(11-13-24)20(26)22-9-8-15-4-2-3-5-17(15)21/h2-7,14H,8-13H2,1H3,(H,22,26)