3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]chromen-2-one Traditional Name: 3-(4-tosylpiperazine-1-carbonyl)coumarin Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H20N2O5S/c1-15-6-8-17(9-7-15)29(26,27)23-12-10-22(11-13-23)20(24)18-14-16-4-2-3-5-19(16)28-21(18)25/h2-9,14H,10-13H2,1H3