4-[(7-bromanyl-2H-chromen-3-yl)sulfonyl]-1-[(1-ethanimidoyl-4-oxidanyl-piperidin-4-yl)methyl]piperazin-2-one hydrochloride

Systemtic Name: 4-[(7-bromanyl-2H-chromen-3-yl)sulfonyl]-1-[(1-ethanimidoyl-4-oxidanyl-piperidin-4-yl)methyl]piperazin-2-one hydrochloride Openeye Name: 4-[(7-bromo-2H-chromen-3-yl)sulfonyl]-1-[(1-ethanimidoyl-4-hydroxy-4-piperidyl)methyl]piperazin-2-one hydrochloride CAS Name: 4-[(7-bromo-2H-1-benzopyran-3-yl)sulfonyl]-1-[[4-hydroxy-1-(1-iminoethyl)-4-piperidinyl]methyl]-2-piperazinone hydrochloride IUPAC Name: 4-[(7-bromo-2H-chromen-3-yl)sulfonyl]-1-[(1-ethanimidoyl-4-hydroxypiperidin-4-yl)methyl]piperazin-2-one hydrochloride Traditional Name: 1-[(1-acetimidoyl-4-hydroxy-4-piperidyl)methyl]-4-[(7-bromo-2H-chromen-3-yl)sulfonyl]piperazin-2-one hydrochloride Formula: C21H28BrClN4O5S MolecularWeight: 563.89282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)(CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Br)OC3)O.Cl

Isomeric SMILES

CC(=N)N1CCC(CC1)(CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Br)OC3)O.Cl

InChI

InChI=1S/C21H27BrN4O5S.ClH/c1-15(23)24-6-4-21(28,5-7-24)14-25-8-9-26(12-20(25)27)32(29,30)18-10-16-2-3-17(22)11-19(16)31-13-18;/h2-3,10-11,23,28H,4-9,12-14H2,1H3;1H