[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 3-(2-furylmethylsulfamoyl)benzoate CAS Name: 3-(2-furanylmethylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 3-(2-furfurylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C25H25N3O6S MolecularWeight: 495.5475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C25H25N3O6S/c1-18-12-19(2)14-21(13-18)28(10-5-9-26)24(29)17-34-25(30)20-6-3-8-23(15-20)35(31,32)27-16-22-7-4-11-33-22/h3-4,6-8,11-15,27H,5,10,16-17H2,1-2H3