(3R)-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3R)-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3R)-3-[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one CAS Name: (3R)-3-[oxo-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3R)-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: (3R)-3-(4-p-cumenylsulfonylpiperazine-1-carbonyl)isochroman-1-one Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-16(2)17-7-9-19(10-8-17)31(28,29)25-13-11-24(12-14-25)22(26)21-15-18-5-3-4-6-20(18)23(27)30-21/h3-10,16,21H,11-15H2,1-2H3/t21-/m1/s1