ethyl 2-methyl-4-[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(benzenesulfonyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(benzenesulfonyl)-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzenesulfonyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-besyl-3-methyl-piperazine-1-carbonyl)-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H28N4O5S MolecularWeight: 508.58932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O5S/c1-4-35-26(32)22-23(20-11-7-5-8-12-20)27-19(3)28-24(22)25(31)29-15-16-30(18(2)17-29)36(33,34)21-13-9-6-10-14-21/h5-14,18H,4,15-17H2,1-3H3