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

Systemtic Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one Openeye Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-isochroman-1-one CAS Name: 3-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one Traditional Name: 3-methyl-3-(4-p-phenetylsulfonylpiperazine-1-carbonyl)isochroman-1-one Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C23H26N2O6S/c1-3-30-18-8-10-19(11-9-18)32(28,29)25-14-12-24(13-15-25)22(27)23(2)16-17-6-4-5-7-20(17)21(26)31-23/h4-11H,3,12-16H2,1-2H3