(4-aminocarbonyl-2-nitro-phenyl)methyl (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propionic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H15Cl2N3O7S MolecularWeight: 476.2879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C[C@@H](C(=O)OCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O7S/c1-9(21-30(27,28)12-4-5-13(18)14(19)7-12)17(24)29-8-11-3-2-10(16(20)23)6-15(11)22(25)26/h2-7,9,21H,8H2,1H3,(H2,20,23)/t9-/m0/s1