[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-morpholinosulfonylthiophene-2-carboxylate CAS Name: 3-(4-morpholinylsulfonyl)-2-thiophenecarboxylic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-morpholinosulfonylthiophene-2-carboxylic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C21H23N3O5S2/c1-15-13-16(2)24(22-15)18-5-3-17(4-6-18)14-29-21(25)20-19(7-12-30-20)31(26,27)23-8-10-28-11-9-23/h3-7,12-13H,8-11,14H2,1-2H3