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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(3,4-dimethoxyphenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H25ClN2O7S MolecularWeight: 532.9932

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)Cl

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)Cl

InChI

InChI=1S/C25H25ClN2O7S/c1-4-35-25(30)17-10-12-21(20(26)14-17)27-24(29)16-28(18-8-6-5-7-9-18)36(31,32)19-11-13-22(33-2)23(15-19)34-3/h5-15H,4,16H2,1-3H3,(H,27,29)