(3S)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one

Systemtic Name: (3S)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one Openeye Name: (3S)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-isochroman-1-one CAS Name: (3S)-3-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one Traditional Name: (3S)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-isochroman-1-one Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H24N2O6S/c1-22(15-16-5-3-4-6-19(16)20(25)30-22)21(26)23-11-13-24(14-12-23)31(27,28)18-9-7-17(29-2)8-10-18/h3-10H,11-15H2,1-2H3/t22-/m0/s1