[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-iodanyl-3-methyl-phenyl)methanone

Systemtic Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-iodanyl-3-methyl-phenyl)methanone Openeye Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-iodo-3-methyl-phenyl)methanone CAS Name: [4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(2-iodo-3-methylphenyl)methanone IUPAC Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-iodo-3-methylphenyl)methanone Traditional Name: [4-(3,4-dimethylphenyl)sulfonylpiperazino]-(2-iodo-3-methyl-phenyl)methanone Formula: C20H23IN2O3S MolecularWeight: 498.37769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23IN2O3S/c1-14-7-8-17(13-16(14)3)27(25,26)23-11-9-22(10-12-23)20(24)18-6-4-5-15(2)19(18)21/h4-8,13H,9-12H2,1-3H3