2-[3,7-bis(dimethylamino)phenothiazin-10-yl]carbonylbenzenesulfonic acid

Systemtic Name: 2-[3,7-bis(dimethylamino)phenothiazin-10-yl]carbonylbenzenesulfonic acid Openeye Name: 2-[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]benzenesulfonic acid CAS Name: 2-[[3,7-bis(dimethylamino)-10-phenothiazinyl]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]benzenesulfonic acid Traditional Name: 2-[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]besylic acid Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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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)C4=CC=CC=C4S(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4S(=O)(=O)O

InChI

InChI=1S/C23H23N3O4S2/c1-24(2)15-9-11-18-20(13-15)31-21-14-16(25(3)4)10-12-19(21)26(18)23(27)17-7-5-6-8-22(17)32(28,29)30/h5-14H,1-4H3,(H,28,29,30)