[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O5S/c22-14-16-7-9-17(10-8-16)21(26)29-15-20(25)23-18-5-4-6-19(13-18)30(27,28)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12,15H2,(H,23,25)