2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-sulfamoylphenyl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-sulfamoylphenyl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-sulfamoylphenyl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-sulfamoylphenyl)propionamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H21N3O5S/c1-12(18(22)21-13-3-6-15(7-4-13)27(19,23)24)20-14-5-8-16-17(11-14)26-10-2-9-25-16/h3-8,11-12,20H,2,9-10H2,1H3,(H,21,22)(H2,19,23,24)