tert-butyl 4-[2-aminocarbonyl-4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-methylsulfonyl-amino]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-aminocarbonyl-4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-methylsulfonyl-amino]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-carbamoyl-4-[[(E)-3-(3-cyanophenyl)allyl]-methylsulfonyl-amino]phenoxy]piperidine-1-carboxylate CAS Name: 4-[2-carbamoyl-4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-methylsulfonylamino]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-carbamoyl-4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-methylsulfonylamino]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[2-carbamoyl-4-[[(E)-3-(3-cyanophenyl)allyl]-mesyl-amino]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H34N4O6S MolecularWeight: 554.65776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)N(CC=CC3=CC=CC(=C3)C#N)S(=O)(=O)C)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)N(C/C=C/C3=CC=CC(=C3)C#N)S(=O)(=O)C)C(=O)N

InChI

InChI=1S/C28H34N4O6S/c1-28(2,3)38-27(34)31-15-12-23(13-16-31)37-25-11-10-22(18-24(25)26(30)33)32(39(4,35)36)14-6-9-20-7-5-8-21(17-20)19-29/h5-11,17-18,23H,12-16H2,1-4H3,(H2,30,33)/b9-6+