tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]-2-propan-2-yl-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-propan-2-yl-phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-(2-ethoxy-2-oxo-ethyl)sulfonyl-amino]-2-isopropyl-phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]-2-propan-2-ylphenoxy]-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-propan-2-ylphenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-(2-ethoxy-2-keto-ethyl)sulfonyl-amino]-2-isopropyl-phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C33H43N3O7S MolecularWeight: 625.77542

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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)C(C)C

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)C(C)C

InChI

InChI=1S/C33H43N3O7S/c1-7-41-31(37)23-44(39,40)36(17-9-12-25-10-8-11-26(20-25)22-34)27-13-14-30(29(21-27)24(2)3)42-28-15-18-35(19-16-28)32(38)43-33(4,5)6/h8-14,20-21,24,28H,7,15-19,23H2,1-6H3/b12-9+