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

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N[C@H](C2=CC3=C(C=C2)OCCCO3)C(C)C

InChI

InChI=1S/C20H24N2O6S/c1-13(2)20(15-6-8-17-18(11-15)28-10-4-9-27-17)21-29(25,26)19-12-16(22(23)24)7-5-14(19)3/h5-8,11-13,20-21H,4,9-10H2,1-3H3/t20-/m0/s1