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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(methylsulfonylmethyl)benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(methylsulfonylmethyl)benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(methylsulfonylmethyl)benzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(mesylmethyl)benzamide Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H20ClNO5S/c1-27(23,24)12-13-3-5-15(6-4-13)19(22)21-11-14-9-16(20)18-17(10-14)25-7-2-8-26-18/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,21,22)