3-bromanyl-4-[4-[2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide

Systemtic Name: 3-bromanyl-4-[4-[2-(6-bromanyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide Openeye Name: 3-bromo-4-[4-[2-(6-bromoisochroman-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide CAS Name: 3-bromo-4-[4-[2-(6-bromo-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: 3-bromo-4-[4-[2-(6-bromo-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide Traditional Name: 3-bromo-4-[4-[2-(6-bromoisochroman-1-yl)ethyl]piperazino]benzenesulfonamide Formula: C21H25Br2N3O3S MolecularWeight: 559.3145

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=C1C=C(C=C2)Br)CCN3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)N)Br

Isomeric SMILES

C1COC(C2=C1C=C(C=C2)Br)CCN3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)N)Br

InChI

InChI=1S/C21H25Br2N3O3S/c22-16-1-3-18-15(13-16)6-12-29-21(18)5-7-25-8-10-26(11-9-25)20-4-2-17(14-19(20)23)30(24,27)28/h1-4,13-14,21H,5-12H2,(H2,24,27,28)