N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25N3O4S/c1-16-20(17(2)25(23-16)18-8-5-4-6-9-18)15-24(3)30(26,27)19-10-11-21-22(14-19)29-13-7-12-28-21/h4-6,8-11,14H,7,12-13,15H2,1-3H3