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

Systemtic Name: 2-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-morpholinosulfonyl-benzamide CAS Name: 2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-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=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)OC1

Isomeric SMILES

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

InChI

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