(1-cyclopentylazetidin-3-yl) 2-[5-cyano-3-(2-ethoxypyridin-3-yl)-2-oxidanylidene-1-(phenylsulfonyl)indol-3-yl]ethanoate

Systemtic Name: (1-cyclopentylazetidin-3-yl) 2-[5-cyano-3-(2-ethoxypyridin-3-yl)-2-oxidanylidene-1-(phenylsulfonyl)indol-3-yl]ethanoate Openeye Name: (1-cyclopentylazetidin-3-yl) 2-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridyl)-2-oxo-indolin-3-yl]acetate CAS Name: 2-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-3-indolyl]acetic acid (1-cyclopentyl-3-azetidinyl) ester IUPAC Name: (1-cyclopentylazetidin-3-yl) 2-[1-(benzenesulfonyl)-5-cyano-3-(2-ethoxypyridin-3-yl)-2-oxoindol-3-yl]acetate Traditional Name: 2-[1-besyl-5-cyano-3-(2-ethoxy-3-pyridyl)-2-keto-indolin-3-yl]acetic acid (1-cyclopentylazetidin-3-yl) ester Formula: C32H32N4O6S MolecularWeight: 600.68468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC=C4)CC(=O)OC5CN(C5)C6CCCC6

Isomeric SMILES

CCOC1=C(C=CC=N1)C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC=C4)CC(=O)OC5CN(C5)C6CCCC6

InChI

InChI=1S/C32H32N4O6S/c1-2-41-30-26(13-8-16-34-30)32(18-29(37)42-24-20-35(21-24)23-9-6-7-10-23)27-17-22(19-33)14-15-28(27)36(31(32)38)43(39,40)25-11-4-3-5-12-25/h3-5,8,11-17,23-24H,2,6-7,9-10,18,20-21H2,1H3