2-chloranyl-N-[(2S)-3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(1S)-2-methyl-1-(4-methylsulfonylpiperazine-1-carbonyl)propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfonyl-1-piperazinyl)-1-oxobutan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(1S)-1-(4-mesylpiperazine-1-carbonyl)-2-methyl-propyl]-4-nitro-benzamide Formula: C17H23ClN4O6S MolecularWeight: 446.90572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4O6S/c1-11(2)15(17(24)20-6-8-21(9-7-20)29(3,27)28)19-16(23)13-5-4-12(22(25)26)10-14(13)18/h4-5,10-11,15H,6-9H2,1-3H3,(H,19,23)/t15-/m0/s1