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

Systemtic Name: 2-cyano-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]benzenesulfonamide Openeye Name: 2-cyano-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]benzenesulfonamide CAS Name: 2-cyano-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]benzenesulfonamide IUPAC Name: 2-cyano-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]benzenesulfonamide Traditional Name: 2-cyano-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]benzenesulfonamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H22N2O4S/c1-14(2)20(15-8-9-17-18(12-15)26-11-5-10-25-17)22-27(23,24)19-7-4-3-6-16(19)13-21/h3-4,6-9,12,14,20,22H,5,10-11H2,1-2H3/t20-/m0/s1