2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-anilino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC2=C(C=C1)OCCCO2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC2=C(C=C1)OCCCO2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN2O5S/c1-27(23,24)21(15-5-2-4-13(19)10-15)12-18(22)20-14-6-7-16-17(11-14)26-9-3-8-25-16/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,20,22)