N-[(2S)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]cyclopropanecarboxamide

Systemtic Name: N-[(2S)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]cyclopropanecarboxamide Openeye Name: N-[(1S)-1-methyl-2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]cyclopropanecarboxamide CAS Name: N-[(2S)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-oxopropan-2-yl]cyclopropanecarboxamide IUPAC Name: N-[(2S)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopropanecarboxamide Traditional Name: N-[(1S)-2-keto-2-[4-(4-mesyl-2-nitro-phenyl)piperazino]-1-methyl-ethyl]cyclopropanecarboxamide Formula: C18H24N4O6S MolecularWeight: 424.47136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])NC(=O)C3CC3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])NC(=O)C3CC3

InChI

InChI=1S/C18H24N4O6S/c1-12(19-17(23)13-3-4-13)18(24)21-9-7-20(8-10-21)15-6-5-14(29(2,27)28)11-16(15)22(25)26/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,19,23)/t12-/m0/s1