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

Systemtic Name: tert-butyl 4-[2-aminocarbonyl-4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-ethylsulfonyl-amino]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-carbamoyl-4-[[(E)-3-(3-cyanophenyl)allyl]-ethylsulfonyl-amino]phenoxy]piperidine-1-carboxylate CAS Name: 4-[2-carbamoyl-4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-ethylsulfonylamino]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-carbamoyl-4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-ethylsulfonylamino]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[2-carbamoyl-4-[[(E)-3-(3-cyanophenyl)allyl]-esyl-amino]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H36N4O6S MolecularWeight: 568.68434

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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)C(=O)N

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)C(=O)N

InChI

InChI=1S/C29H36N4O6S/c1-5-40(36,37)33(15-7-10-21-8-6-9-22(18-21)20-30)23-11-12-26(25(19-23)27(31)34)38-24-13-16-32(17-14-24)28(35)39-29(2,3)4/h6-12,18-19,24H,5,13-17H2,1-4H3,(H2,31,34)/b10-7+