7-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 7-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 7-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethoxy]chromen-2-one CAS Name: 7-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-(4-tosylpiperazino)ethoxy]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)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C22H22N2O6S/c1-16-2-7-19(8-3-16)31(27,28)24-12-10-23(11-13-24)21(25)15-29-18-6-4-17-5-9-22(26)30-20(17)14-18/h2-9,14H,10-13,15H2,1H3