2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(esyl)amino]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)NCCCN1C=CN=C1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)NCCCN1C=CN=C1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H24N4O5S/c1-2-28(24,25)22(15-4-5-16-17(12-15)27-11-10-26-16)13-18(23)20-6-3-8-21-9-7-19-14-21/h4-5,7,9,12,14H,2-3,6,8,10-11,13H2,1H3,(H,20,23)