tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]-2-fluoranyl-phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]-2-fluoranyl-phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-(2-ethoxy-2-oxo-ethyl)sulfonyl-amino]-2-fluoro-phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]-2-fluorophenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]-2-fluorophenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-(2-ethoxy-2-keto-ethyl)sulfonyl-amino]-2-fluoro-phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H36FN3O7S MolecularWeight: 601.686143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)N(CC=CC1=CC=CC(=C1)C#N)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N(C/C=C/C1=CC=CC(=C1)C#N)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C30H36FN3O7S/c1-5-39-28(35)21-42(37,38)34(15-7-10-22-8-6-9-23(18-22)20-32)24-11-12-27(26(31)19-24)40-25-13-16-33(17-14-25)29(36)41-30(2,3)4/h6-12,18-19,25H,5,13-17,21H2,1-4H3/b10-7+