[2-[(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate

Systemtic Name: [2-[(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: [2-(2-isopropoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyanilino]-2-oxoethyl] ester IUPAC Name: [2-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyanilino)-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-(2-isopropoxy-5-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C22H30N4O7S MolecularWeight: 494.5612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC(C)C

InChI

InChI=1S/C22H30N4O7S/c1-4-5-16-12-19(25-24-16)22(28)32-14-21(27)23-18-13-17(6-7-20(18)33-15(2)3)34(29,30)26-8-10-31-11-9-26/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,23,27)(H,24,25)