sodium 2-[2-[[3,7-bis(dimethylamino)phenothiazin-10-yl]carbonylamino]ethanoylamino]ethanesulfonate

Systemtic Name: sodium 2-[2-[[3,7-bis(dimethylamino)phenothiazin-10-yl]carbonylamino]ethanoylamino]ethanesulfonate Openeye Name: sodium 2-[[2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]acetyl]amino]ethanesulfonate CAS Name: sodium 2-[[2-[[[3,7-bis(dimethylamino)-10-phenothiazinyl]-oxomethyl]amino]-1-oxoethyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]acetyl]amino]ethanesulfonate Traditional Name: sodium 2-[[2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]acetyl]amino]ethanesulfonate Formula: C21H26N5NaO5S2 MolecularWeight: 515.58141

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)NCC(=O)NCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)NCC(=O)NCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H27N5O5S2.Na/c1-24(2)14-5-7-16-18(11-14)32-19-12-15(25(3)4)6-8-17(19)26(16)21(28)23-13-20(27)22-9-10-33(29,30)31;/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,27)(H,23,28)(H,29,30,31);/q;+1/p-1