3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-(4-besylpiperazine-1-carbonyl)isochroman-1-one Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3C(=O)O2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2CC3=CC=CC=C3C(=O)O2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O5S/c23-19(18-14-15-6-4-5-9-17(15)20(24)27-18)21-10-12-22(13-11-21)28(25,26)16-7-2-1-3-8-16/h1-9,18H,10-14H2