N-(2-phenylpyrimidin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(2-phenylpyrimidin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(2-phenylpyrimidin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(2-phenyl-5-pyrimidinyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2-phenylpyrimidin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(2-phenylpyrimidin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CN=C(N=C3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CN=C(N=C3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C19H17N3O4S/c23-27(24,16-7-8-17-18(11-16)26-10-4-9-25-17)22-15-12-20-19(21-13-15)14-5-2-1-3-6-14/h1-3,5-8,11-13,22H,4,9-10H2