ethyl 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6S/c1-3-29-22(26)19-14-23-25(15(19)2)17-7-5-16(6-8-17)24-32(27,28)18-9-10-20-21(13-18)31-12-4-11-30-20/h5-10,13-14,24H,3-4,11-12H2,1-2H3