4-[4-[3-(3,4-dihydro-1H-isochromen-1-yl)propyl]piperazin-1-yl]benzenesulfonamide

Systemtic Name: 4-[4-[3-(3,4-dihydro-1H-isochromen-1-yl)propyl]piperazin-1-yl]benzenesulfonamide Openeye Name: 4-[4-(3-isochroman-1-ylpropyl)piperazin-1-yl]benzenesulfonamide CAS Name: 4-[4-[3-(3,4-dihydro-1H-2-benzopyran-1-yl)propyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: 4-[4-[3-(3,4-dihydro-1H-isochromen-1-yl)propyl]piperazin-1-yl]benzenesulfonamide Traditional Name: 4-[4-(3-isochroman-1-ylpropyl)piperazino]benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CCCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1COC(C2=CC=CC=C21)CCCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H29N3O3S/c23-29(26,27)20-9-7-19(8-10-20)25-15-13-24(14-16-25)12-3-6-22-21-5-2-1-4-18(21)11-17-28-22/h1-2,4-5,7-10,22H,3,6,11-17H2,(H2,23,26,27)