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

Systemtic Name: N-(3-chlorophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanamide Openeye Name: N-(3-chlorophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide CAS Name: N-(3-chlorophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide IUPAC Name: N-(3-chlorophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Traditional Name: N-(3-chlorophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

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