(phenylmethyl) 4-cyano-3-[2-[(4-iodophenyl)sulfonylamino]propoxy]-2-phenyl-6-piperidin-4-yloxy-benzoate

Systemtic Name: (phenylmethyl) 4-cyano-3-[2-[(4-iodophenyl)sulfonylamino]propoxy]-2-phenyl-6-piperidin-4-yloxy-benzoate Openeye Name: benzyl 4-cyano-3-[2-[(4-iodophenyl)sulfonylamino]propoxy]-2-phenyl-6-(4-piperidyloxy)benzoate CAS Name: 4-cyano-3-[2-[(4-iodophenyl)sulfonylamino]propoxy]-2-phenyl-6-(4-piperidinyloxy)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-cyano-3-[2-[(4-iodophenyl)sulfonylamino]propoxy]-2-phenyl-6-piperidin-4-yloxybenzoate Traditional Name: 4-cyano-3-[2-[(4-iodophenyl)sulfonylamino]propoxy]-2-phenyl-6-(4-piperidyloxy)benzoic acid benzyl ester Formula: C35H34IN3O6S MolecularWeight: 751.63043

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C(=C(C=C1C#N)OC2CCNCC2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)I

Isomeric SMILES

CC(COC1=C(C(=C(C=C1C#N)OC2CCNCC2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)I

InChI

InChI=1S/C35H34IN3O6S/c1-24(39-46(41,42)30-14-12-28(36)13-15-30)22-43-34-27(21-37)20-31(45-29-16-18-38-19-17-29)33(32(34)26-10-6-3-7-11-26)35(40)44-23-25-8-4-2-5-9-25/h2-15,20,24,29,38-39H,16-19,22-23H2,1H3