N-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanoyl]phenyl]methanesulfonamide Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO5S2/c1-13(19(21)14-4-6-15(7-5-14)20-27(2,22)23)26-16-8-9-17-18(12-16)25-11-3-10-24-17/h4-9,12-13,20H,3,10-11H2,1-2H3/t13-/m1/s1