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

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-3,4-dimethyl-benzenesulfonamide Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-14(2)21(17-7-9-19-20(13-17)26-11-5-10-25-19)22-27(23,24)18-8-6-15(3)16(4)12-18/h6-9,12-14,21-22H,5,10-11H2,1-4H3/t21-/m0/s1