sodium 2-[(2Z)-2-[5-aminocarbonyl-1-ethyl-4-methyl-2,6-bis(oxidanylidene)pyridin-3-ylidene]hydrazinyl]-4-(2-bromanylprop-2-enoylamino)benzenesulfonate

Systemtic Name: sodium 2-[(2Z)-2-[5-aminocarbonyl-1-ethyl-4-methyl-2,6-bis(oxidanylidene)pyridin-3-ylidene]hydrazinyl]-4-(2-bromanylprop-2-enoylamino)benzenesulfonate Openeye Name: sodium 4-(2-bromoprop-2-enoylamino)-2-[(2Z)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxo-3-pyridylidene)hydrazino]benzenesulfonate CAS Name: sodium 4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-[(2Z)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxo-3-pyridinylidene)hydrazinyl]benzenesulfonate IUPAC Name: sodium 4-(2-bromoprop-2-enoylamino)-2-[(2Z)-2-(5-carbamoyl-1-ethyl-4-methyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]benzenesulfonate Traditional Name: sodium 4-[(2-bromoacryloyl)amino]-2-[(N'Z)-N'-(5-carbamoyl-1-ethyl-2,6-diketo-4-methyl-3-pyridylidene)hydrazino]besylate Formula: C18H17BrN5NaO7S MolecularWeight: 550.31565

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=NNC2=C(C=CC(=C2)NC(=O)C(=C)Br)S(=O)(=O)[O-])C1=O)C)C(=O)N.[Na+]

Isomeric SMILES

CCN1C(=O)C(=C(/C(=N/NC2=C(C=CC(=C2)NC(=O)C(=C)Br)S(=O)(=O)[O-])/C1=O)C)C(=O)N.[Na+]

InChI

InChI=1S/C18H18BrN5O7S.Na/c1-4-24-17(27)13(15(20)25)8(2)14(18(24)28)23-22-11-7-10(21-16(26)9(3)19)5-6-12(11)32(29,30)31;/h5-7,22H,3-4H2,1-2H3,(H2,20,25)(H,21,26)(H,29,30,31);/q;+1/p-1/b23-14-;