3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethylsulfonylphenyl)-1-methyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethylsulfonylphenyl)-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethylsulfonylphenyl)-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethylsulfonylphenyl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethylsulfonylphenyl)-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-esylphenyl)-1-methyl-pyrazole-4-carboxamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C22H23N3O5S/c1-3-31(27,28)17-8-6-16(7-9-17)23-22(26)18-14-25(2)24-21(18)15-5-10-19-20(13-15)30-12-4-11-29-19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,26)