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

Systemtic Name: 4-[4-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: 4-[4-(isochroman-1-ylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: 4-[4-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 4-[4-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: 4-[4-(isochroman-1-ylmethyl)piperazino]benzenesulfonamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1COC(C2=CC=CC=C21)CN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H25N3O3S/c21-27(24,25)18-7-5-17(6-8-18)23-12-10-22(11-13-23)15-20-19-4-2-1-3-16(19)9-14-26-20/h1-8,20H,9-15H2,(H2,21,24,25)