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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-morpholinosulfonyl-benzamide Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O6S/c22-18-12-15(13-19-20(18)30-9-1-8-29-19)14-23-21(25)16-2-4-17(5-3-16)31(26,27)24-6-10-28-11-7-24/h2-5,12-13H,1,6-11,14H2,(H,23,25)