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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionamide Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21ClN2O5S/c1-13-15(20)4-2-5-16(13)22-19(23)8-9-21-28(24,25)14-6-7-17-18(12-14)27-11-3-10-26-17/h2,4-7,12,21H,3,8-11H2,1H3,(H,22,23)