(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-piperonyl-propionamide Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21NO5S/c1-13(27-15-4-6-16-19(10-15)24-8-2-7-23-16)20(22)21-11-14-3-5-17-18(9-14)26-12-25-17/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,21,22)/t13-/m1/s1