(2R)-3-methyl-2-[[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfonylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfonylamino]butanoic acid Openeye Name: (2R)-3-methyl-2-[[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylamino]butanoic acid CAS Name: (2R)-3-methyl-2-[[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]sulfonylamino]butanoic acid IUPAC Name: (2R)-3-methyl-2-[[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylamino]butanoic acid Traditional Name: (2R)-3-methyl-2-[[4-[(4-nitrobenzoyl)amino]phenyl]sulfonylamino]butyric acid Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c1-11(2)16(18(23)24)20-29(27,28)15-9-5-13(6-10-15)19-17(22)12-3-7-14(8-4-12)21(25)26/h3-11,16,20H,1-2H3,(H,19,22)(H,23,24)/t16-/m1/s1