[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-iodophenyl)methanone

Systemtic Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-iodophenyl)methanone Openeye Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-iodophenyl)methanone CAS Name: [4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(4-iodophenyl)methanone IUPAC Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-iodophenyl)methanone Traditional Name: [4-(3,4-dimethylphenyl)sulfonylpiperazino]-(4-iodophenyl)methanone Formula: C19H21IN2O3S MolecularWeight: 484.35111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21IN2O3S/c1-14-3-8-18(13-15(14)2)26(24,25)22-11-9-21(10-12-22)19(23)16-4-6-17(20)7-5-16/h3-8,13H,9-12H2,1-2H3