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

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-piperonyl-propionamide Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-13(20(23)21-11-14-3-5-17-18(9-14)29-12-28-17)22-30(24,25)15-4-6-16-19(10-15)27-8-2-7-26-16/h3-6,9-10,13,22H,2,7-8,11-12H2,1H3,(H,21,23)/t13-/m0/s1