N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3,5-dimethyl-4-(4-morpholinylsulfonyl)-1-pyrazolyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)acetamide Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)OCCCO3)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)OCCCO3)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H26N4O6S/c1-14-20(31(26,27)23-6-10-28-11-7-23)15(2)24(22-14)13-19(25)21-16-4-5-17-18(12-16)30-9-3-8-29-17/h4-5,12H,3,6-11,13H2,1-2H3,(H,21,25)