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

Systemtic Name: N-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carboxamide Openeye Name: N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carboxamide CAS Name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-4-(4-mesyl-2-nitro-phenyl)piperazine-1-carboxamide Formula: C21H25FN4O6S MolecularWeight: 480.509803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)F)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)F)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN4O6S/c1-14(15-4-7-20(32-2)17(22)12-15)23-21(27)25-10-8-24(9-11-25)18-6-5-16(33(3,30)31)13-19(18)26(28)29/h4-7,12-14H,8-11H2,1-3H3,(H,23,27)