4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazino]methyl]-6,7-dimethyl-coumarin Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C)C

InChI

InChI=1S/C24H28N2O4S/c1-16-5-6-21(11-17(16)2)31(28,29)26-9-7-25(8-10-26)15-20-14-24(27)30-23-13-19(4)18(3)12-22(20)23/h5-6,11-14H,7-10,15H2,1-4H3