(4-ethylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone

Systemtic Name: (4-ethylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone Openeye Name: (4-ethylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone CAS Name: (4-ethylsulfonyl-1-piperazinyl)-(3-nitrophenyl)methanone IUPAC Name: (4-ethylsulfonylpiperazin-1-yl)-(3-nitrophenyl)methanone Traditional Name: (4-esylpiperazino)-(3-nitrophenyl)methanone Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-2-22(20,21)15-8-6-14(7-9-15)13(17)11-4-3-5-12(10-11)16(18)19/h3-5,10H,2,6-9H2,1H3