N-[2-(4-oxidanylidene-1H-pyrimidin-6-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(4-oxidanylidene-1H-pyrimidin-6-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(4-oxo-1H-pyrimidin-6-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(4-oxo-1H-pyrimidin-6-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(4-oxo-1H-pyrimidin-6-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(4-keto-1H-pyrimidin-6-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC(=O)N=CN3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC(=O)N=CN3)OC1

InChI

InChI=1S/C15H17N3O5S/c19-15-8-11(16-10-17-15)4-5-18-24(20,21)12-2-3-13-14(9-12)23-7-1-6-22-13/h2-3,8-10,18H,1,4-7H2,(H,16,17,19)