2-(4-tert-butylphenoxy)-1-(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)ethanone

Systemtic Name: 2-(4-tert-butylphenoxy)-1-(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)ethanone Openeye Name: 2-(4-tert-butylphenoxy)-1-(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-[3,5-dimethyl-4-(4-morpholinylsulfonyl)-1-pyrazolyl]ethanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone Traditional Name: 2-(4-tert-butylphenoxy)-1-(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)ethanone Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)C(C)(C)C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)C(C)(C)C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H29N3O5S/c1-15-20(30(26,27)23-10-12-28-13-11-23)16(2)24(22-15)19(25)14-29-18-8-6-17(7-9-18)21(3,4)5/h6-9H,10-14H2,1-5H3