N-(3-methylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(3-methylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(3-methylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(3-methylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(3-methylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(3-mesylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H17NO5S/c1-24(20,21)14-5-2-4-13(11-14)18-17(19)12-6-7-15-16(10-12)23-9-3-8-22-15/h2,4-7,10-11H,3,8-9H2,1H3,(H,18,19)