6-chloranyl-7-methyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methyl]coumarin Formula: C25H29ClN2O4S MolecularWeight: 489.02676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C)C

InChI

InChI=1S/C25H29ClN2O4S/c1-15-10-16(2)19(5)25(18(15)4)33(30,31)28-8-6-27(7-9-28)14-20-12-24(29)32-23-11-17(3)22(26)13-21(20)23/h10-13H,6-9,14H2,1-5H3