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

Systemtic Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3)C

InChI

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