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

Systemtic Name: (3S)-3-methyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-4H-isochromen-1-one Openeye Name: (3S)-3-methyl-3-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: (3S)-3-methyl-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-methyl-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-4H-isochromen-1-one Traditional Name: (3S)-3-methyl-3-(4-tosylpiperazine-1-carbonyl)isochroman-1-one Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-16-7-9-18(10-8-16)30(27,28)24-13-11-23(12-14-24)21(26)22(2)15-17-5-3-4-6-19(17)20(25)29-22/h3-10H,11-15H2,1-2H3/t22-/m0/s1