3-chloranyl-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-chloranyl-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-chloro-propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-chloro-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-chloropropan-1-one Traditional Name: 1-(4-besylpiperazino)-3-chloro-propan-1-one Formula: C13H17ClN2O3S MolecularWeight: 316.80368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCl)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)CCCl)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17ClN2O3S/c14-7-6-13(17)15-8-10-16(11-9-15)20(18,19)12-4-2-1-3-5-12/h1-5H,6-11H2