[(2R)-1-[(4-methyl-3-nitro-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[(4-methyl-3-nitro-phenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[(4-methyl-3-nitro-phenyl)carbamoyl]-3-methylsulfonyl-propyl]ammonium CAS Name: [(2R)-1-(4-methyl-3-nitroanilino)-4-methylsulfonyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2R)-1-(4-methyl-3-nitroanilino)-4-methylsulfonyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-3-mesyl-1-[(4-methyl-3-nitro-phenyl)carbamoyl]propyl]ammonium Formula: C12H18N3O5S+ MolecularWeight: 316.35342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCS(=O)(=O)C)[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H](CCS(=O)(=O)C)[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5S/c1-8-3-4-9(7-11(8)15(17)18)14-12(16)10(13)5-6-21(2,19)20/h3-4,7,10H,5-6,13H2,1-2H3,(H,14,16)/p+1/t10-/m1/s1