1-[4-(4-iodophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(4-iodophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(4-iodophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(4-iodophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(4-iodophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(4-iodophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C13H17IN2O3S MolecularWeight: 408.25515

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C13H17IN2O3S/c1-11(17)15-7-2-8-16(10-9-15)20(18,19)13-5-3-12(14)4-6-13/h3-6H,2,7-10H2,1H3