(phenylmethyl) 3-[(Z)-1-(2-cyanophenyl)-3-(phenylsulfonylamino)but-1-enyl]-2-piperidin-4-yloxy-benzoate

Systemtic Name: (phenylmethyl) 3-[(Z)-1-(2-cyanophenyl)-3-(phenylsulfonylamino)but-1-enyl]-2-piperidin-4-yloxy-benzoate Openeye Name: benzyl 3-[(Z)-3-(benzenesulfonamido)-1-(2-cyanophenyl)but-1-enyl]-2-(4-piperidyloxy)benzoate CAS Name: 3-[(Z)-3-(benzenesulfonamido)-1-(2-cyanophenyl)but-1-enyl]-2-(4-piperidinyloxy)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(Z)-3-(benzenesulfonamido)-1-(2-cyanophenyl)but-1-enyl]-2-piperidin-4-yloxybenzoate Traditional Name: 3-[(Z)-3-(benzenesulfonamido)-1-(2-cyanophenyl)but-1-enyl]-2-(4-piperidyloxy)benzoic acid benzyl ester Formula: C36H35N3O5S MolecularWeight: 621.7452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C1=C(C(=CC=C1)C(=O)OCC2=CC=CC=C2)OC3CCNCC3)C4=CC=CC=C4C#N)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(/C=C(\C1=C(C(=CC=C1)C(=O)OCC2=CC=CC=C2)OC3CCNCC3)/C4=CC=CC=C4C#N)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H35N3O5S/c1-26(39-45(41,42)30-14-6-3-7-15-30)23-34(31-16-9-8-13-28(31)24-37)32-17-10-18-33(35(32)44-29-19-21-38-22-20-29)36(40)43-25-27-11-4-2-5-12-27/h2-18,23,26,29,38-39H,19-22,25H2,1H3/b34-23-