tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]-2,6-dimethyl-phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]-2,6-dimethyl-phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-(2-ethoxy-2-oxo-ethyl)sulfonyl-amino]-2,6-dimethyl-phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]-2,6-dimethylphenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]-2,6-dimethylphenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-(2-ethoxy-2-keto-ethyl)sulfonyl-amino]-2,6-dimethyl-phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H41N3O7S MolecularWeight: 611.74884

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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)C)OC3CCN(CC3)C(=O)OC(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)C)OC3CCN(CC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C32H41N3O7S/c1-7-40-29(36)22-43(38,39)35(15-9-12-25-10-8-11-26(20-25)21-33)27-18-23(2)30(24(3)19-27)41-28-13-16-34(17-14-28)31(37)42-32(4,5)6/h8-12,18-20,28H,7,13-17,22H2,1-6H3/b12-9+