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

Systemtic Name: 4-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholinosulfonyl-benzamide CAS Name: 4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholinosulfonyl-benzamide Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4)OC1

InChI

InChI=1S/C20H21ClN2O6S/c21-16-4-2-14(12-19(16)30(25,26)23-6-10-27-11-7-23)20(24)22-15-3-5-17-18(13-15)29-9-1-8-28-17/h2-5,12-13H,1,6-11H2,(H,22,24)