(3R)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3R)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3R)-3-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: (3R)-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: (3R)-3-(4-tosylpiperazine-1-carbonyl)isochroman-1-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H22N2O5S/c1-15-6-8-17(9-7-15)29(26,27)23-12-10-22(11-13-23)20(24)19-14-16-4-2-3-5-18(16)21(25)28-19/h2-9,19H,10-14H2,1H3/t19-/m1/s1