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

Systemtic Name: N-(2-prop-2-enylsulfanylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(2-allylsulfanylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(prop-2-enylthio)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2-prop-2-enylsulfanylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(allylthio)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C=CCSC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H19NO4S2/c1-2-12-24-18-7-4-3-6-15(18)19-25(20,21)14-8-9-16-17(13-14)23-11-5-10-22-16/h2-4,6-9,13,19H,1,5,10-12H2