methyl 4-[2-[(2-nitrophenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(2-nitrophenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzoate CAS Name: 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzoic acid methyl ester Formula: C22H19N3O7S MolecularWeight: 469.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O7S/c1-32-22(27)16-11-13-17(14-12-16)23-21(26)15-24(18-7-3-2-4-8-18)33(30,31)20-10-6-5-9-19(20)25(28)29/h2-14H,15H2,1H3,(H,23,26)