2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(2-morpholinosulfonylphenyl)methyl]acetamide CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[[2-(4-morpholinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(2-morpholinosulfonylbenzyl)acetamide Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=O)NCC3=CC=CC=C3S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=O)NCC3=CC=CC=C3S(=O)(=O)N4CCOCC4)Cl)OC1

InChI

InChI=1S/C22H25ClN2O6S/c23-18-12-16(13-19-22(18)31-9-3-8-30-19)14-21(26)24-15-17-4-1-2-5-20(17)32(27,28)25-6-10-29-11-7-25/h1-2,4-5,12-13H,3,6-11,14-15H2,(H,24,26)