prop-2-enyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-tert-butylphenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid allyl ester Formula: C26H34N4O5S MolecularWeight: 514.63696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC=C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC=C

InChI

InChI=1S/C26H34N4O5S/c1-8-15-35-25(32)22-18(3)27-19(4)28-23(22)24(31)29-13-14-30(17(2)16-29)36(33,34)21-11-9-20(10-12-21)26(5,6)7/h8-12,17H,1,13-16H2,2-7H3