6-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylchromen-2-one

Systemtic Name: 6-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylchromen-2-one Openeye Name: 6-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylchromen-2-one CAS Name: 6-[[4-(2,4-dimethylphenyl)-1-piperazinyl]sulfonyl]-1-benzopyran-2-one IUPAC Name: 6-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylchromen-2-one Traditional Name: 6-[4-(2,4-dimethylphenyl)piperazino]sulfonylcoumarin Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-15-3-6-19(16(2)13-15)22-9-11-23(12-10-22)28(25,26)18-5-7-20-17(14-18)4-8-21(24)27-20/h3-8,13-14H,9-12H2,1-2H3