N-(3-chloranyl-4-methoxy-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

InChI

InChI=1S/C19H21ClN2O6S/c1-26-16-5-3-13(11-15(16)20)22-19(23)7-8-21-29(24,25)14-4-6-17-18(12-14)28-10-2-9-27-17/h3-6,11-12,21H,2,7-10H2,1H3,(H,22,23)