N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-ethyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-ethyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-ethyl-3-morpholinosulfonyl-benzamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-ethyl-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-ethyl-3-morpholinosulfonyl-benzamide Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25ClN2O6S/c1-2-15-4-5-16(12-21(15)32(27,28)25-6-10-29-11-7-25)22(26)24-18-14-20-19(13-17(18)23)30-8-3-9-31-20/h4-5,12-14H,2-3,6-11H2,1H3,(H,24,26)