[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C20H22N4O8S MolecularWeight: 478.47568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)O[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C20H22N4O8S/c1-11(2)17(18(25)22-20(21)27)32-19(26)14-6-4-5-7-15(14)23-33(30,31)16-10-13(24(28)29)9-8-12(16)3/h4-11,17,23H,1-3H3,(H3,21,22,25,27)/t17-/m1/s1