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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H34N4O5S/c1-4-12-25-26(30(36)39-5-2)27(32-28(31-25)24-15-10-7-11-16-24)29(35)33-18-19-34(22(3)21-33)40(37,38)20-17-23-13-8-6-9-14-23/h6-11,13-17,20,22H,4-5,12,18-19,21H2,1-3H3/b20-17+