(2R)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-2-carboxamide

Systemtic Name: (2R)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-2-carboxamide Openeye Name: (2R)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-2-carboxamide CAS Name: (2R)-4-(4-methylsulfonyl-2-nitrophenyl)-2-piperazin-1-iumcarboxamide IUPAC Name: (2R)-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium-2-carboxamide Traditional Name: (2R)-4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium-2-carboxamide Formula: C12H17N4O5S+ MolecularWeight: 329.35218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+]C(C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+][C@H](C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5S/c1-22(20,21)8-2-3-10(11(6-8)16(18)19)15-5-4-14-9(7-15)12(13)17/h2-3,6,9,14H,4-5,7H2,1H3,(H2,13,17)/p+1/t9-/m1/s1