[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(3-iodanylphenyl)methanone

Systemtic Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(3-iodanylphenyl)methanone Openeye Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-(3-iodophenyl)methanone CAS Name: [4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-(3-iodophenyl)methanone IUPAC Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(3-iodophenyl)methanone Traditional Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-(3-iodophenyl)methanone Formula: C16H18IN3O4S MolecularWeight: 475.30129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C16H18IN3O4S/c1-11-15(12(2)24-18-11)25(22,23)20-8-6-19(7-9-20)16(21)13-4-3-5-14(17)10-13/h3-5,10H,6-9H2,1-2H3