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

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(p-tolylmethylsulfanyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S2/c1-15-3-5-16(6-4-15)14-25-12-9-20-26(21,22)17-7-8-18-19(13-17)24-11-2-10-23-18/h3-8,13,20H,2,9-12,14H2,1H3