(7-chloranyl-1,3-benzodioxol-5-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(7-chloro-1,3-benzodioxol-5-yl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanone Traditional Name: (4-besylpiperazino)-(7-chloro-1,3-benzodioxol-5-yl)methanone Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H17ClN2O5S/c19-15-10-13(11-16-17(15)26-12-25-16)18(22)20-6-8-21(9-7-20)27(23,24)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12H2