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

Systemtic Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-ethylsulfonyl-amino]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-ethylsulfonyl-amino]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-ethylsulfonylamino]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-ethylsulfonylamino]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-esyl-amino]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H35N3O5S MolecularWeight: 525.6596

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=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

CCS(=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/C28H35N3O5S/c1-5-37(33,34)31(17-7-10-22-8-6-9-23(20-22)21-29)24-11-13-25(14-12-24)35-26-15-18-30(19-16-26)27(32)36-28(2,3)4/h6-14,20,26H,5,15-19H2,1-4H3/b10-7+