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

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-4-methylsulfonyl-benzamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-4-methylsulfonyl-benzamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-4-methylsulfonylbenzamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-4-methylsulfonylbenzamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-4-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=C(C=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-14(2)20(16-7-10-18-19(13-16)27-12-4-11-26-18)22-21(23)15-5-8-17(9-6-15)28(3,24)25/h5-10,13-14,20H,4,11-12H2,1-3H3,(H,22,23)/t20-/m0/s1