4-[(7-bromanyl-2H-chromen-3-yl)sulfonyl]-1-[(1-ethanimidoylpiperidin-4-yl)amino]piperazin-2-one dihydrochloride

Systemtic Name: 4-[(7-bromanyl-2H-chromen-3-yl)sulfonyl]-1-[(1-ethanimidoylpiperidin-4-yl)amino]piperazin-2-one dihydrochloride Openeye Name: 4-[(7-bromo-2H-chromen-3-yl)sulfonyl]-1-[(1-ethanimidoyl-4-piperidyl)amino]piperazin-2-one dihydrochloride CAS Name: 4-[(7-bromo-2H-1-benzopyran-3-yl)sulfonyl]-1-[[1-(1-iminoethyl)-4-piperidinyl]amino]-2-piperazinone dihydrochloride IUPAC Name: 4-[(7-bromo-2H-chromen-3-yl)sulfonyl]-1-[(1-ethanimidoylpiperidin-4-yl)amino]piperazin-2-one dihydrochloride Traditional Name: 1-[(1-acetimidoyl-4-piperidyl)amino]-4-[(7-bromo-2H-chromen-3-yl)sulfonyl]piperazin-2-one dihydrochloride Formula: C20H28BrCl2N5O4S MolecularWeight: 585.34242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Br)OC3.Cl.Cl

Isomeric SMILES

CC(=N)N1CCC(CC1)NN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Br)OC3.Cl.Cl

InChI

InChI=1S/C20H26BrN5O4S.2ClH/c1-14(22)24-6-4-17(5-7-24)23-26-9-8-25(12-20(26)27)31(28,29)18-10-15-2-3-16(21)11-19(15)30-13-18;;/h2-3,10-11,17,22-23H,4-9,12-13H2,1H3;2*1H