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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H16ClNO5S MolecularWeight: 369.81994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

InChI

InChI=1S/C16H16ClNO5S/c1-21-14-5-3-11(9-13(14)17)18-24(19,20)12-4-6-15-16(10-12)23-8-2-7-22-15/h3-6,9-10,18H,2,7-8H2,1H3