3-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)sulfamoyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)sulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)sulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)sulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)sulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)sulfamoyl]-4-methoxy-benzoic acid Formula: C17H16ClNO7S MolecularWeight: 413.82944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C17H16ClNO7S/c1-24-13-4-3-10(17(20)21)7-16(13)27(22,23)19-12-9-15-14(8-11(12)18)25-5-2-6-26-15/h3-4,7-9,19H,2,5-6H2,1H3,(H,20,21)