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

Systemtic Name: 4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-1-[(1-ethanimidoylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Openeye Name: 4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-1-[(1-ethanimidoyl-4-piperidyl)methyl]piperazin-2-one hydrochloride CAS Name: 4-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-1-[[1-(1-iminoethyl)-4-piperidinyl]methyl]-2-piperazinone hydrochloride IUPAC Name: 4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-1-[(1-ethanimidoylpiperidin-4-yl)methyl]piperazin-2-one hydrochloride Traditional Name: 1-[(1-acetimidoyl-4-piperidyl)methyl]-4-[(7-chloro-2H-chromen-3-yl)sulfonyl]piperazin-2-one hydrochloride Formula: C21H28Cl2N4O4S MolecularWeight: 503.44242

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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)Cl)OC3.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O4S.ClH/c1-15(23)24-6-4-16(5-7-24)12-25-8-9-26(13-21(25)27)31(28,29)19-10-17-2-3-18(22)11-20(17)30-14-19;/h2-3,10-11,16,23H,4-9,12-14H2,1H3;1H