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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-isopropylsulfonyl-benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-propan-2-ylsulfonylbenzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-isopropylsulfonyl-benzamide Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO5S/c1-13(2)28(24,25)16-6-4-15(5-7-16)20(23)22-12-14-10-17(21)19-18(11-14)26-8-3-9-27-19/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,22,23)