6-methoxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-methoxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 6-methoxy-3-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]chromen-2-one CAS Name: 6-methoxy-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6-methoxy-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]chromen-2-one Traditional Name: 6-methoxy-3-(4-tosylpiperazine-1-carbonyl)coumarin Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)OC)OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)OC)OC3=O

InChI

InChI=1S/C22H22N2O6S/c1-15-3-6-18(7-4-15)31(27,28)24-11-9-23(10-12-24)21(25)19-14-16-13-17(29-2)5-8-20(16)30-22(19)26/h3-8,13-14H,9-12H2,1-2H3