5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(5-ethylsulfonyl-2-methoxy-phenyl)-1,3-oxazol-2-amine

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(5-ethylsulfonyl-2-methoxy-phenyl)-1,3-oxazol-2-amine Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(5-ethylsulfonyl-2-methoxy-phenyl)oxazol-2-amine CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-2-oxazolamine IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine Traditional Name: [5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxazol-2-yl]-(5-esyl-2-methoxy-phenyl)amine Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N2O6S/c1-3-30(24,25)15-6-8-17(26-2)16(12-15)23-21-22-13-20(29-21)14-5-7-18-19(11-14)28-10-4-9-27-18/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,23)