(4-aminocarbonyl-2-nitro-phenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C18H19N3O7S/c1-11-3-6-15(7-12(11)2)29(26,27)20-9-17(22)28-10-14-5-4-13(18(19)23)8-16(14)21(24)25/h3-8,20H,9-10H2,1-2H3,(H2,19,23)