2-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide Formula: C22H26ClN3O6S MolecularWeight: 495.97634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNC3=CC4=C(C=C3Cl)OCCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNC3=CC4=C(C=C3Cl)OCCCO4

InChI

InChI=1S/C22H26ClN3O6S/c1-15-3-4-16(33(28,29)26-5-9-30-10-6-26)11-18(15)25-22(27)14-24-19-13-21-20(12-17(19)23)31-7-2-8-32-21/h3-4,11-13,24H,2,5-10,14H2,1H3,(H,25,27)