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

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]isochroman-1-one Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3)OC

InChI

InChI=1S/C22H24N2O7S/c1-29-18-8-7-16(14-19(18)30-2)32(27,28)24-11-9-23(10-12-24)21(25)20-13-15-5-3-4-6-17(15)22(26)31-20/h3-8,14,20H,9-13H2,1-2H3