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

Systemtic Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-6-[3-methyl-4-[(E)-styryl]sulfonyl-piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[3-methyl-4-[(E)-styryl]sulfonyl-piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C30H34N4O5S MolecularWeight: 562.67976

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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(=O)OCC(C)C

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(=O)OCC(C)C

InChI

InChI=1S/C30H34N4O5S/c1-21(2)20-39-30(36)26-23(4)31-28(25-13-9-6-10-14-25)32-27(26)29(35)33-16-17-34(22(3)19-33)40(37,38)18-15-24-11-7-5-8-12-24/h5-15,18,21-22H,16-17,19-20H2,1-4H3/b18-15+