2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-(phenylmethyl)propanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]propanamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]propanamide Traditional Name: N-benzyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfonyl]propionamide Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)S(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)S(=O)(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H22ClNO5S/c1-14(20(23)22-12-15-6-3-2-4-7-15)28(24,25)13-16-10-17(21)19-18(11-16)26-8-5-9-27-19/h2-4,6-7,10-11,14H,5,8-9,12-13H2,1H3,(H,22,23)