[2-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-[4-(1-azepanylsulfonyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-[4-(azepan-1-ylsulfonyl)phenyl]-2-keto-ethyl] ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O5S/c26-20(15-30-22(27)21-18-7-3-4-8-19(18)23-24-21)16-9-11-17(12-10-16)31(28,29)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,24)