[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O5S/c25-19(14-29-21(26)20-17-6-2-3-7-18(17)22-23-20)15-8-10-16(11-9-15)30(27,28)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14H2,(H,22,23)