2-methylpropyl 4-methyl-6-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-6-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(3-methyl-4-nosyl-piperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C28H31N5O7S MolecularWeight: 581.64004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC(C)C

InChI

InChI=1S/C28H31N5O7S/c1-18(2)17-40-28(35)24-20(4)29-26(21-8-6-5-7-9-21)30-25(24)27(34)31-14-15-32(19(3)16-31)41(38,39)23-12-10-22(11-13-23)33(36)37/h5-13,18-19H,14-17H2,1-4H3