3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[oxo-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3)C)C

InChI

InChI=1S/C24H28N2O5S/c1-15-13-16(2)18(4)22(17(15)3)32(29,30)26-11-9-25(10-12-26)23(27)21-14-19-7-5-6-8-20(19)24(28)31-21/h5-8,13,21H,9-12,14H2,1-4H3