cyclobutyl-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: cyclobutyl-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: cyclobutyl-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: cyclobutyl-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: cyclobutyl-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: cyclobutyl-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5S/c1-25(23,24)13-5-6-14(15(11-13)19(21)22)17-7-9-18(10-8-17)16(20)12-3-2-4-12/h5-6,11-12H,2-4,7-10H2,1H3