N-(3-chloranyl-2,6-diethyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H22ClNO4S/c1-3-13-6-8-16(20)15(4-2)19(13)21-26(22,23)14-7-9-17-18(12-14)25-11-5-10-24-17/h6-9,12,21H,3-5,10-11H2,1-2H3