ethyl 2-methyl-5-[(3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[(3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyrazole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(3-morpholinosulfonylphenyl)carbamoyl]pyrazole-3-carboxylate CAS Name: 2-methyl-5-[[3-(4-morpholinylsulfonyl)anilino]-oxomethyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyrazole-3-carboxylate Traditional Name: 2-methyl-5-[(3-morpholinosulfonylphenyl)carbamoyl]pyrazole-3-carboxylic acid ethyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H22N4O6S/c1-3-28-18(24)16-12-15(20-21(16)2)17(23)19-13-5-4-6-14(11-13)29(25,26)22-7-9-27-10-8-22/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,23)