N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H17N3O4S/c22-26(23,16-6-7-17-18(10-16)25-9-8-24-17)20-12-14-11-19-21(13-14)15-4-2-1-3-5-15/h1-7,10-11,13,20H,8-9,12H2