[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C20H21N3O6S MolecularWeight: 431.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C20H21N3O6S/c1-2-28-16-7-9-17(10-8-16)30(26,27)22-12-11-20(25)29-14-19(24)23-18-6-4-3-5-15(18)13-21/h3-10,22H,2,11-12,14H2,1H3,(H,23,24)