[(1S,2S)-2-methylcyclopropyl]-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5S/c1-11-9-13(11)16(20)18-7-5-17(6-8-18)14-4-3-12(25(2,23)24)10-15(14)19(21)22/h3-4,10-11,13H,5-9H2,1-2H3/t11-,13-/m0/s1