2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-mesyl-2-nitro-phenyl)piperazino]-1-pyrrolidino-ethanone Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O5S/c1-27(25,26)14-4-5-15(16(12-14)21(23)24)19-10-8-18(9-11-19)13-17(22)20-6-2-3-7-20/h4-5,12H,2-3,6-11,13H2,1H3