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

Systemtic Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-amino]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-(2-ethoxy-2-oxo-ethyl)sulfonyl-amino]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-(2-ethoxy-2-oxoethyl)sulfonylamino]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-(2-ethoxy-2-keto-ethyl)sulfonyl-amino]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H37N3O7S MolecularWeight: 583.69568

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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

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

InChI

InChI=1S/C30H37N3O7S/c1-5-38-28(34)22-41(36,37)33(17-7-10-23-8-6-9-24(20-23)21-31)25-11-13-26(14-12-25)39-27-15-18-32(19-16-27)29(35)40-30(2,3)4/h6-14,20,27H,5,15-19,22H2,1-4H3/b10-7+