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

Systemtic Name: propan-2-yl 4-methyl-6-[3-methyl-4-(4-nitrophenyl)sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C27H29N5O7S MolecularWeight: 567.61346

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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)OC(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)OC(C)C

InChI

InChI=1S/C27H29N5O7S/c1-17(2)39-27(34)23-19(4)28-25(20-8-6-5-7-9-20)29-24(23)26(33)30-14-15-31(18(3)16-30)40(37,38)22-12-10-21(11-13-22)32(35)36/h5-13,17-18H,14-16H2,1-4H3