4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-1-(piperidin-4-ylmethyl)piperazin-2-one hydrochloride

Systemtic Name: 4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-1-(piperidin-4-ylmethyl)piperazin-2-one hydrochloride Openeye Name: 4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-1-(4-piperidylmethyl)piperazin-2-one hydrochloride CAS Name: 4-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-1-(4-piperidinylmethyl)-2-piperazinone hydrochloride IUPAC Name: 4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-1-(piperidin-4-ylmethyl)piperazin-2-one hydrochloride Traditional Name: 4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-1-(4-piperidylmethyl)piperazin-2-one hydrochloride Formula: C19H25Cl2N3O4S MolecularWeight: 462.3905

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3.Cl

Isomeric SMILES

C1CNCCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3.Cl

InChI

InChI=1S/C19H24ClN3O4S.ClH/c20-16-2-1-15-9-17(13-27-18(15)10-16)28(25,26)23-8-7-22(19(24)12-23)11-14-3-5-21-6-4-14;/h1-2,9-10,14,21H,3-8,11-13H2;1H