ethyl 4-[3-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[2-hydroxy-3-(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)propoxy]benzoate CAS Name: 4-[3-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(2,3-dihydroindol-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(4-indolin-1-ylsulfonyl-3,5-dimethyl-pyrazol-1-yl)propoxy]benzoic acid ethyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN2C(=C(C(=N2)C)S(=O)(=O)N3CCC4=CC=CC=C43)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CN2C(=C(C(=N2)C)S(=O)(=O)N3CCC4=CC=CC=C43)C)O

InChI

InChI=1S/C25H29N3O6S/c1-4-33-25(30)20-9-11-22(12-10-20)34-16-21(29)15-27-18(3)24(17(2)26-27)35(31,32)28-14-13-19-7-5-6-8-23(19)28/h5-12,21,29H,4,13-16H2,1-3H3