ethyl 5-(4-cyclohexylphenyl)-2-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-cyclohexylphenyl)-2-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-cyclohexylphenyl)-2-(2-morpholinosulfonyl-4-nitro-phenyl)pyrazole-3-carboxylate CAS Name: 5-(4-cyclohexylphenyl)-2-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-cyclohexylphenyl)-2-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-cyclohexylphenyl)-2-(2-morpholinosulfonyl-4-nitro-phenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C28H32N4O7S MolecularWeight: 568.64128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C28H32N4O7S/c1-2-39-28(33)26-19-24(22-10-8-21(9-11-22)20-6-4-3-5-7-20)29-31(26)25-13-12-23(32(34)35)18-27(25)40(36,37)30-14-16-38-17-15-30/h8-13,18-20H,2-7,14-17H2,1H3