(2-fluorophenyl)-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (2-fluorophenyl)-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methanone Openeye Name: (2-fluorophenyl)-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methanone CAS Name: (2-fluorophenyl)-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-fluorophenyl)-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]methanone Traditional Name: (2-fluorophenyl)-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]methanone Formula: C21H23FN4O5S MolecularWeight: 462.494523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN4O5S/c22-18-6-2-1-5-17(18)21(27)24-13-11-23(12-14-24)19-8-7-16(15-20(19)26(28)29)32(30,31)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14H2