N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methylsulfonyl-benzamide

Systemtic Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methylsulfonyl-benzamide Openeye Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methylsulfonyl-benzamide CAS Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-methylsulfonylbenzamide IUPAC Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-methylsulfonylbenzamide Traditional Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-mesyl-benzamide Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-14(2)20(15-9-10-17-18(13-15)27-12-6-11-26-17)22-21(23)16-7-4-5-8-19(16)28(3,24)25/h4-5,7-10,13-14,20H,6,11-12H2,1-3H3,(H,22,23)/t20-/m1/s1