ethyl 1-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]-5-methoxy-indole-2-carboxylate

Systemtic Name: ethyl 1-[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl]-5-methoxy-indole-2-carboxylate Openeye Name: ethyl 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidyl]-5-methoxy-indole-2-carboxylate CAS Name: 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidinyl]-5-methoxy-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-methoxyindole-2-carboxylate Traditional Name: 1-[1-[2-fluoro-4-(2-mesylphenyl)phenyl]-2-keto-3-piperidyl]-5-methoxy-indole-2-carboxylic acid ethyl ester Formula: C30H29FN2O6S MolecularWeight: 564.624463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1C3CCCN(C3=O)C4=C(C=C(C=C4)C5=CC=CC=C5S(=O)(=O)C)F)C=CC(=C2)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1C3CCCN(C3=O)C4=C(C=C(C=C4)C5=CC=CC=C5S(=O)(=O)C)F)C=CC(=C2)OC

InChI

InChI=1S/C30H29FN2O6S/c1-4-39-30(35)27-18-20-16-21(38-2)12-14-24(20)33(27)26-9-7-15-32(29(26)34)25-13-11-19(17-23(25)31)22-8-5-6-10-28(22)40(3,36)37/h5-6,8,10-14,16-18,26H,4,7,9,15H2,1-3H3