ethyl 3-[2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H24ClN3O8S MolecularWeight: 561.99136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O8S/c1-4-37-25(31)17-6-5-7-19(12-17)27-24(30)15-28(22-13-18(26)9-11-23(22)36-3)38(34,35)20-10-8-16(2)21(14-20)29(32)33/h5-14H,4,15H2,1-3H3,(H,27,30)