[4-(2-nitrophenyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(2-nitrophenyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(2-nitrophenyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(2-nitrophenyl)-1-piperazinyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2-nitrophenyl)piperazin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2-nitrophenyl)piperazino]-(3-pyrrolidinosulfonylphenyl)methanone Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c26-21(17-6-5-7-18(16-17)31(29,30)24-10-3-4-11-24)23-14-12-22(13-15-23)19-8-1-2-9-20(19)25(27)28/h1-2,5-9,16H,3-4,10-15H2