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

Systemtic Name: methyl 4-[2-[(2,4-dimethoxyphenyl)-(2-nitrophenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C24H23N3O9S MolecularWeight: 529.51912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C24H23N3O9S/c1-34-18-12-13-19(21(14-18)35-2)26(37(32,33)22-7-5-4-6-20(22)27(30)31)15-23(28)25-17-10-8-16(9-11-17)24(29)36-3/h4-14H,15H2,1-3H3,(H,25,28)