N-(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(5-isopropyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(1-methyl-3-oxo-2-phenyl-5-propan-2-yl-4-pyrazolyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(5-isopropyl-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25N3O5S/c1-15(2)21-20(22(26)25(24(21)3)16-8-5-4-6-9-16)23-31(27,28)17-10-11-18-19(14-17)30-13-7-12-29-18/h4-6,8-11,14-15,23H,7,12-13H2,1-3H3