3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)benzenesulfonyl chloride

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)benzenesulfonyl chloride Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)benzenesulfonyl chloride CAS Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]benzenesulfonyl chloride IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)benzenesulfonyl chloride Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)benzenesulfonyl chloride Formula: C16H14ClNO5S MolecularWeight: 367.80406

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)Cl)OC1

InChI

InChI=1S/C16H14ClNO5S/c17-24(20,21)13-4-1-3-11(9-13)16(19)18-12-5-6-14-15(10-12)23-8-2-7-22-14/h1,3-6,9-10H,2,7-8H2,(H,18,19)