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

Systemtic Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-(3,4-dimethylphenyl)sulfonylpiperazino]methyl]-6-isopropyl-7-methyl-coumarin Formula: C26H32N2O4S MolecularWeight: 468.60828

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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)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)C)C

InChI

InChI=1S/C26H32N2O4S/c1-17(2)23-15-24-21(14-26(29)32-25(24)13-20(23)5)16-27-8-10-28(11-9-27)33(30,31)22-7-6-18(3)19(4)12-22/h6-7,12-15,17H,8-11,16H2,1-5H3