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

Systemtic Name: N-(3-phenylsulfanylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(3-phenylsulfanylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(phenylthio)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(3-phenylsulfanylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(phenylthio)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCSC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCSC3=CC=CC=C3)OC1

InChI

InChI=1S/C18H21NO4S2/c20-25(21,19-10-4-13-24-15-6-2-1-3-7-15)16-8-9-17-18(14-16)23-12-5-11-22-17/h1-3,6-9,14,19H,4-5,10-13H2