N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H20N2O4S2/c1-13(19-20-15-6-3-4-7-18(15)26-19)21(2)27(22,23)14-8-9-16-17(12-14)25-11-5-10-24-16/h3-4,6-9,12-13H,5,10-11H2,1-2H3/t13-/m1/s1