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

Systemtic Name: (3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one CAS Name: (3R)-3-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: (3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H22N2O6S/c1-28-16-6-8-17(9-7-16)30(26,27)23-12-10-22(11-13-23)20(24)19-14-15-4-2-3-5-18(15)21(25)29-19/h2-9,19H,10-14H2,1H3/t19-/m1/s1