N-[2-(4-methylphenyl)sulfanylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(p-tolylthio)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H21NO4S2/c1-14-3-5-15(6-4-14)24-12-9-19-25(20,21)16-7-8-17-18(13-16)23-11-2-10-22-17/h3-8,13,19H,2,9-12H2,1H3