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

Systemtic Name: N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5)OC1

InChI

InChI=1S/C26H25N3O4S/c30-34(31,23-12-13-24-25(16-23)33-15-7-14-32-24)27-17-22-19-29(18-20-8-3-1-4-9-20)28-26(22)21-10-5-2-6-11-21/h1-6,8-13,16,19,27H,7,14-15,17-18H2