ditert-butyl 2,6-dimethyl-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl 2,6-dimethyl-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 2,6-dimethyl-4-[3-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[3-[4-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[3-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C36H44N4O7S MolecularWeight: 676.82216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)C(=O)OC(C)(C)C

InChI

InChI=1S/C36H44N4O7S/c1-23-29(33(41)46-35(3,4)5)31(30(24(2)37-23)34(42)47-36(6,7)8)28-22-40(26-12-10-9-11-13-26)38-32(28)25-14-16-27(17-15-25)48(43,44)39-18-20-45-21-19-39/h9-17,22,31,37H,18-21H2,1-8H3