1-[(4-cyano-3-methylsulfonyl-phenyl)methyl]-5-ethyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid

Systemtic Name: 1-[(4-cyano-3-methylsulfonyl-phenyl)methyl]-5-ethyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid Openeye Name: 1-[(4-cyano-3-methylsulfonyl-phenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid CAS Name: 1-[(4-cyano-3-methylsulfonylphenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-2-indolecarboxylic acid IUPAC Name: 1-[(4-cyano-3-methylsulfonylphenyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid Traditional Name: 1-(4-cyano-3-mesyl-benzyl)-5-ethyl-3-(2-keto-1H-pyridin-3-yl)indole-2-carboxylic acid Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=CNC3=O)C(=O)O)CC4=CC(=C(C=C4)C#N)S(=O)(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=CNC3=O)C(=O)O)CC4=CC(=C(C=C4)C#N)S(=O)(=O)C

InChI

InChI=1S/C25H21N3O5S/c1-3-15-7-9-20-19(11-15)22(18-5-4-10-27-24(18)29)23(25(30)31)28(20)14-16-6-8-17(13-26)21(12-16)34(2,32)33/h4-12H,3,14H2,1-2H3,(H,27,29)(H,30,31)