ethyl 4-[2-[(3,4-dimethoxyphenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(3,4-dimethoxyphenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzoate CAS Name: 4-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H26N2O7S MolecularWeight: 498.54814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H26N2O7S/c1-4-34-25(29)18-10-12-19(13-11-18)26-24(28)17-27(20-8-6-5-7-9-20)35(30,31)21-14-15-22(32-2)23(16-21)33-3/h5-16H,4,17H2,1-3H3,(H,26,28)