methyl 4-[3-methyl-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[3-methyl-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-isopropyl-6-[3-methyl-4-[(E)-styryl]sulfonyl-piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-methyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-isopropyl-6-[3-methyl-4-[(E)-styryl]sulfonyl-piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C29H32N4O5S MolecularWeight: 548.65318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C=CC2=CC=CC=C2)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)/C=C/C2=CC=CC=C2)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

InChI

InChI=1S/C29H32N4O5S/c1-20(2)25-24(29(35)38-4)26(31-27(30-25)23-13-9-6-10-14-23)28(34)32-16-17-33(21(3)19-32)39(36,37)18-15-22-11-7-5-8-12-22/h5-15,18,20-21H,16-17,19H2,1-4H3/b18-15+