4-[(5-chloranyl-1-benzofuran-2-yl)sulfonyl]-1-(piperidin-4-ylmethyl)piperazin-2-one hydrochloride

Systemtic Name: 4-[(5-chloranyl-1-benzofuran-2-yl)sulfonyl]-1-(piperidin-4-ylmethyl)piperazin-2-one hydrochloride Openeye Name: 4-(5-chlorobenzofuran-2-yl)sulfonyl-1-(4-piperidylmethyl)piperazin-2-one hydrochloride CAS Name: 4-[(5-chloro-2-benzofuranyl)sulfonyl]-1-(4-piperidinylmethyl)-2-piperazinone hydrochloride IUPAC Name: 4-[(5-chloro-1-benzofuran-2-yl)sulfonyl]-1-(piperidin-4-ylmethyl)piperazin-2-one hydrochloride Traditional Name: 4-(5-chlorobenzofuran-2-yl)sulfonyl-1-(4-piperidylmethyl)piperazin-2-one hydrochloride Formula: C18H23Cl2N3O4S MolecularWeight: 448.36392

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(O3)C=CC(=C4)Cl.Cl

Isomeric SMILES

C1CNCCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(O3)C=CC(=C4)Cl.Cl

InChI

InChI=1S/C18H22ClN3O4S.ClH/c19-15-1-2-16-14(9-15)10-18(26-16)27(24,25)22-8-7-21(17(23)12-22)11-13-3-5-20-6-4-13;/h1-2,9-10,13,20H,3-8,11-12H2;1H